(1-diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane

C14H27O3P — CID 10540269

IUPAC(1-diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane
SMILESC=C(C)C(C1CCCCC1)P(=O)(OCC)OCC
InChIInChI=1S/C14H27O3P/c1-5-16-18(15,17-6-2)14(12(3)4)13-10-8-7-9-11-13/h13-14H,3,5-11H2,1-2,4H3
InChIKeyGERNGPAWLPPQPA-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.78
Rot. Bonds7

About (1-diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane

(1-diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane (PubChem CID 10540269) has the molecular formula C14H27O3P and a molecular weight of 274.34 g/mol. Its IUPAC name is (1-diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane.

Molecular Properties

Compound Name(1-diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane
PubChem CID10540269
Molecular FormulaC14H27O3P
Molecular Weight274.34 g/mol
Exact Mass274.17
IUPAC Name(1-diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane
SMILESC=C(C)C(C1CCCCC1)P(=O)(OCC)OCC
InChIInChI=1S/C14H27O3P/c1-5-16-18(15,17-6-2)14(12(3)4)13-10-8-7-9-11-13/h13-14H,3,5-11H2,1-2,4H3
InChIKeyGERNGPAWLPPQPA-UHFFFAOYSA-N
XLogP4.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.78
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

Diethoxyphosphorylmethylidenecyclohexane
CID 12860450
5-(Diethoxyphosphorylmethylidene)nonane
CID 10660090
(E)-1-diethoxyphosphoryl-2-methyloct-1-ene
CID 10849072
diethyl (E)-(2-cyclohexylvinyl)phosphonate
CID 14493786
[(E)-2-di(propan-2-yloxy)phosphorylethenyl]cyclohexane
CID 101157518
(1E)-1-(diethoxyphosphorylmethylidene)-2-pentylcyclohexane
CID 134877861
(1E)-1-(diethoxyphosphorylmethylidene)-2-methylcyclohexane
CID 134895021
(E)-1-diethoxyphosphoryl-2,3-dimethyloct-1-ene
CID 134895023
(1E,4S)-1-(diethoxyphosphorylmethylidene)-2-fluoro-4-prop-1-en-2-ylcyclohexane
CID 101027986
(4S)-1-(diethoxyphosphorylmethyl)-2-fluoro-4-prop-1-en-2-ylcyclohexene
CID 101027989
[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]cyclohexane
CID 101841951
1-Dimethoxyphosphorylethenylcyclohexane
CID 12464988

Frequently Asked Questions

What is the IUPAC name of (1-diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane?
The IUPAC name of (1-diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane (CID 10540269) is (1-diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane.
What is the SMILES notation for (1-diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane?
The canonical SMILES for (1-diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane is C=C(C)C(C1CCCCC1)P(=O)(OCC)OCC.
What is the InChIKey of (1-diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane?
The InChIKey is GERNGPAWLPPQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O3P/c1-5-16-18(15,17-6-2)14(12(3)4)13-10-8-7-9-11-13/h13-14H,3,5-11H2,1-2,4H3.
What are the key properties of (1-diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane?
(1-diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane has a molecular weight of 274.34 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-diethoxyphosphoryl-2-methylprop-2-enyl)cyclohexane is sourced from PubChem (CID 10540269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).