1-diethoxyphosphorylprop-2-enylcyclohexane

C13H25O3P — CID 10825240

IUPAC1-diethoxyphosphorylprop-2-enylcyclohexane
SMILESC=CC(C1CCCCC1)P(=O)(OCC)OCC
InChIInChI=1S/C13H25O3P/c1-4-13(12-10-8-7-9-11-12)17(14,15-5-2)16-6-3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyJYPYTTTWQKKOCS-UHFFFAOYSA-N
MW260.31 g/mol
LogP4.39
Rot. Bonds7

About 1-diethoxyphosphorylprop-2-enylcyclohexane

1-diethoxyphosphorylprop-2-enylcyclohexane (PubChem CID 10825240) has the molecular formula C13H25O3P and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-diethoxyphosphorylprop-2-enylcyclohexane.

Molecular Properties

Compound Name1-diethoxyphosphorylprop-2-enylcyclohexane
PubChem CID10825240
Molecular FormulaC13H25O3P
Molecular Weight260.31 g/mol
Exact Mass260.15
IUPAC Name1-diethoxyphosphorylprop-2-enylcyclohexane
SMILESC=CC(C1CCCCC1)P(=O)(OCC)OCC
InChIInChI=1S/C13H25O3P/c1-4-13(12-10-8-7-9-11-12)17(14,15-5-2)16-6-3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyJYPYTTTWQKKOCS-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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 1-diethoxyphosphorylprop-2-enylcyclohexane?
The IUPAC name of 1-diethoxyphosphorylprop-2-enylcyclohexane (CID 10825240) is 1-diethoxyphosphorylprop-2-enylcyclohexane.
What is the SMILES notation for 1-diethoxyphosphorylprop-2-enylcyclohexane?
The canonical SMILES for 1-diethoxyphosphorylprop-2-enylcyclohexane is C=CC(C1CCCCC1)P(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphorylprop-2-enylcyclohexane?
The InChIKey is JYPYTTTWQKKOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25O3P/c1-4-13(12-10-8-7-9-11-12)17(14,15-5-2)16-6-3/h4,12-13H,1,5-11H2,2-3H3.
What are the key properties of 1-diethoxyphosphorylprop-2-enylcyclohexane?
1-diethoxyphosphorylprop-2-enylcyclohexane has a molecular weight of 260.31 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylprop-2-enylcyclohexane is sourced from PubChem (CID 10825240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).