1,2,3,4-Tetramethylcyclohexane
PubChem CID
94277
Structure
Molecular Formula
Synonyms
- 1,2,3,4-Tetramethylcyclohexane
- Cyclohexane, 1,2,3,4-tetramethyl-
- 3726-45-2
- DTXSID10871041
- 1R,2c,3t,4t-Tetramethyl-cyclohexane
Molecular Weight
140.27 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-04
Chemical Structure Depiction
1,2,3,4-tetramethylcyclohexane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C10H20/c1-7-5-6-8(2)10(4)9(7)3/h7-10H,5-6H2,1-4H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
OOQVBBNTNKHXSN-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1CCC(C(C1C)C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H20
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
140.27 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
4.3
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
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
140.156500638 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
140.156500638 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
10
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
92.6
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
4
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)
NIST Number
144073
Library
Main library
Total Peaks
17
m/z Top Peak
69
m/z 2nd Highest
70
m/z 3rd Highest
56
Thumbnail
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Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=OOQVBBNTNKHXSN-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/4.0/1,2,3,4-Tetramethylcyclohexanehttps://commonchemistry.cas.org/detail?cas_rn=3726-45-2
- ChemIDplusCyclohexane, 1,2,3,4-tetramethyl-https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0003726452ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox1,2,3,4-Tetramethylcyclohexanehttps://comptox.epa.gov/dashboard/DTXSID10871041CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law1R,2c,3t,4t-Tetramethyl-cyclohexanehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase1-cis-2-trans-3-trans-4-Tetramethyl-cyclohexanehttps://spectrabase.com/spectrum/HdHlvQG3Twm
- Springer Nature
- SpringerMaterialscyclohexane, 1,2,3,4-tetramethyl-https://materials.springer.com/substanceprofile/docs/smsid_zfnkkcjjpantahln
- Wikidata1,2,3,4-Tetramethylcyclohexanehttps://www.wikidata.org/wiki/Q81986584
- 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 389335372https://pubchem.ncbi.nlm.nih.gov/substance/389335372
CONTENTS