Acetic acid, (diethoxyphosphinyl)-, octyl ester
PubChem CID
9972540
Structure
Molecular Formula
Synonyms
- Acetic acid, (diethoxyphosphinyl)-, octyl ester
- 147318-10-3
- DTXSID60433537
Molecular Weight
308.35 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2006-10-25
- Modify:2024-12-28
Chemical Structure Depiction
octyl 2-diethoxyphosphorylacetate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C14H29O5P/c1-4-7-8-9-10-11-12-17-14(15)13-20(16,18-5-2)19-6-3/h4-13H2,1-3H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
MXMDTVDDOYHTLF-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCCCCCCCOC(=O)CP(=O)(OCC)OCC
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C14H29O5P
Computed by PubChem 2.1 (PubChem release 2019.06.18)
147318-10-3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
308.35 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
3.5
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
14
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
308.17526102 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
308.17526102 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
61.8Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
20
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
283
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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 2019.01.04)
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Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- EPA DSSToxAcetic acid, (diethoxyphosphinyl)-, octyl esterhttps://comptox.epa.gov/dashboard/DTXSID60433537
- WikidataAcetic acid, (diethoxyphosphinyl)-, octyl esterhttps://www.wikidata.org/wiki/Q82247701
- PubChem
CONTENTS