[(E)-2-diethoxyphosphorylethenyl]cyclohexane

C12H23O3P — CID 14493786

IUPAC[(E)-2-diethoxyphosphorylethenyl]cyclohexane
SMILESCCOP(=O)(/C=C/C1CCCCC1)OCC
InChIInChI=1S/C12H23O3P/c1-3-14-16(13,15-4-2)11-10-12-8-6-5-7-9-12/h10-12H,3-9H2,1-2H3/b11-10+
InChIKeyCKQUDAAFUPLULH-ZHACJKMWSA-N
MW246.29 g/mol
LogP4.35
Rot. Bonds6

About [(E)-2-diethoxyphosphorylethenyl]cyclohexane

[(E)-2-diethoxyphosphorylethenyl]cyclohexane (PubChem CID 14493786) has the molecular formula C12H23O3P and a molecular weight of 246.29 g/mol. Its IUPAC name is [(E)-2-diethoxyphosphorylethenyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-diethoxyphosphorylethenyl]cyclohexane
PubChem CID14493786
Molecular FormulaC12H23O3P
Molecular Weight246.29 g/mol
Exact Mass246.14
IUPAC Name[(E)-2-diethoxyphosphorylethenyl]cyclohexane
SMILESCCOP(=O)(/C=C/C1CCCCC1)OCC
InChIInChI=1S/C12H23O3P/c1-3-14-16(13,15-4-2)11-10-12-8-6-5-7-9-12/h10-12H,3-9H2,1-2H3/b11-10+
InChIKeyCKQUDAAFUPLULH-ZHACJKMWSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-Cyclohexylethenyl-oxo-(2,2,2-trifluoroethoxy)phosphanium
CID 68926876
[(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane
CID 101157518
Dibutyl 2-methyl-3-cyclohexenylphosphonate
CID 129813652
Diethyl 2-methyl-3-cyclohexenylphosphonate
CID 129813730
(1E)-1-(diethoxyphosphorylmethylidene)-2-pentylcyclohexane
CID 134877861
(1E)-1-(diethoxyphosphorylmethylidene)-2-methylcyclohexane
CID 134895021
(E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene
CID 134895023
(E)-1-diethoxyphosphoryl-3-methyloct-1-ene
CID 134895029
[(Z)-2-[bis(2,2,2-trifluoroethoxy)phosphoryl]ethenyl]cyclohexane
CID 10861149
(1E,4S)-1-(diethoxyphosphorylmethylidene)-2-fluoro-4-prop-1-en-2-ylcyclohexane
CID 101027986
3-(Diethoxyphosphorylmethyl)cyclohexene
CID 14967988
2-Diethoxyphosphorylhex-5-enylcyclopropane
CID 53392046

Frequently Asked Questions

What is the IUPAC name of [(E)-2-diethoxyphosphorylethenyl]cyclohexane?
The IUPAC name of [(E)-2-diethoxyphosphorylethenyl]cyclohexane (CID 14493786) is [(E)-2-diethoxyphosphorylethenyl]cyclohexane.
What is the SMILES notation for [(E)-2-diethoxyphosphorylethenyl]cyclohexane?
The canonical SMILES for [(E)-2-diethoxyphosphorylethenyl]cyclohexane is CCOP(=O)(/C=C/C1CCCCC1)OCC.
What is the InChIKey of [(E)-2-diethoxyphosphorylethenyl]cyclohexane?
The InChIKey is CKQUDAAFUPLULH-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H23O3P/c1-3-14-16(13,15-4-2)11-10-12-8-6-5-7-9-12/h10-12H,3-9H2,1-2H3/b11-10+.
What are the key properties of [(E)-2-diethoxyphosphorylethenyl]cyclohexane?
[(E)-2-diethoxyphosphorylethenyl]cyclohexane has a molecular weight of 246.29 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-diethoxyphosphorylethenyl]cyclohexane is sourced from PubChem (CID 14493786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).