[(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane

C13H25O3P — CID 10539261

IUPAC[(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane
SMILESCCOP(=O)(/C=C/CC1CCCCC1)OCC
InChIInChI=1S/C13H25O3P/c1-3-15-17(14,16-4-2)12-8-11-13-9-6-5-7-10-13/h8,12-13H,3-7,9-11H2,1-2H3/b12-8+
InChIKeyPPWFWJNFCNRCBK-XYOKQWHBSA-N
MW260.31 g/mol
LogP4.74
Rot. Bonds7

About [(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane

[(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane (PubChem CID 10539261) has the molecular formula C13H25O3P and a molecular weight of 260.31 g/mol. Its IUPAC name is [(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane
PubChem CID10539261
Molecular FormulaC13H25O3P
Molecular Weight260.31 g/mol
Exact Mass260.15
IUPAC Name[(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane
SMILESCCOP(=O)(/C=C/CC1CCCCC1)OCC
InChIInChI=1S/C13H25O3P/c1-3-15-17(14,16-4-2)12-8-11-13-9-6-5-7-10-13/h8,12-13H,3-7,9-11H2,1-2H3/b12-8+
InChIKeyPPWFWJNFCNRCBK-XYOKQWHBSA-N
XLogP4.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 54.74
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
diethyl (E)-(2-cyclohexylvinyl)phosphonate
CID 14493786
[(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane
CID 101157518
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
[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]cyclohexane
CID 101841951
3-(Diethoxyphosphorylmethyl)cyclohexene
CID 14967988

Frequently Asked Questions

What is the IUPAC name of [(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane?
The IUPAC name of [(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane (CID 10539261) is [(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane.
What is the SMILES notation for [(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane?
The canonical SMILES for [(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane is CCOP(=O)(/C=C/CC1CCCCC1)OCC.
What is the InChIKey of [(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane?
The InChIKey is PPWFWJNFCNRCBK-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H25O3P/c1-3-15-17(14,16-4-2)12-8-11-13-9-6-5-7-10-13/h8,12-13H,3-7,9-11H2,1-2H3/b12-8+.
What are the key properties of [(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane?
[(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane has a molecular weight of 260.31 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-diethoxyphosphorylprop-2-enyl]cyclohexane is sourced from PubChem (CID 10539261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).