Carbonochloridic acid, 1,4-cyclohexanediylbis(methylene) ester
PubChem CID
76208
Structure
Molecular Formula
Synonyms
- 2916-24-7
- Carbonochloridic acid, 1,4-cyclohexanediylbis(methylene) ester
- Carbonochloridic acid, C,C'-(1,4-cyclohexanediylbis(methylene)) ester
- Carbonochloridic acid, C,C'-[1,4-cyclohexanediylbis(methylene)] ester
- 1,4-Cyclohexanebis(methylene chloroformate)
Molecular Weight
269.12 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-08
- Modify:2025-01-18
Chemical Structure Depiction
[4-(carbonochloridoyloxymethyl)cyclohexyl]methyl carbonochloridate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C10H14Cl2O4/c11-9(13)15-5-7-1-2-8(4-3-7)6-16-10(12)14/h7-8H,1-6H2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
BTMCUDBTQUAKQH-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1CC(CCC1COC(=O)Cl)COC(=O)Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H14Cl2O4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 2916-24-7
- Carbonochloridic acid, 1,4-cyclohexanediylbis(methylene) ester
- Carbonochloridic acid, C,C'-(1,4-cyclohexanediylbis(methylene)) ester
- Carbonochloridic acid, C,C'-[1,4-cyclohexanediylbis(methylene)] ester
- 1,4-Cyclohexanebis(methylene chloroformate)
- [4-(carbonochloridoyloxymethyl)cyclohexyl]methyl carbonochloridate
- SCHEMBL2265196
- DTXSID1062708
- Bis(chloroformic acid)1,4-cyclohexanediylbismethylene ester
- BTMCUDBTQUAKQH-UHFFFAOYSA-N
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
269.12 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
3.8
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
268.0269143 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
268.0269143 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
52.6 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
16
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
223
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
EPA TSCA Commercial Activity Status
Carbonochloridic acid, C,C'-[1,4-cyclohexanediylbis(methylene)] ester: INACTIVE
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=BTMCUDBTQUAKQH-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/C,C′-[1,4-Cyclohexanediylbis(methylene)] dicarbonochloridatehttps://commonchemistry.cas.org/detail?cas_rn=2916-24-7
- ChemIDplusCarbonochloridic acid, C,C'-(1,4-cyclohexanediylbis(methylene)) esterhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0002916247ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA Chemicals under the TSCACarbonochloridic acid, C,C'-[1,4-cyclohexanediylbis(methylene)] esterhttps://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSToxCarbonochloridic acid, 1,4-cyclohexanediylbis(methylene) esterhttps://comptox.epa.gov/dashboard/DTXSID1062708CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- WikidataCarbonochloridic acid, 1,4-cyclohexanediylbis(methylene) esterhttps://www.wikidata.org/wiki/Q81990206
- PubChem
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403735781https://pubchem.ncbi.nlm.nih.gov/substance/403735781
CONTENTS