1-cyclohexylprop-2-enyl diethyl phosphate

C13H25O4P — CID 15098982

IUPAC1-cyclohexylprop-2-enyl diethyl phosphate
SMILESC=CC(OP(=O)(OCC)OCC)C1CCCCC1
InChIInChI=1S/C13H25O4P/c1-4-13(12-10-8-7-9-11-12)17-18(14,15-5-2)16-6-3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyVVWFMYPWAPGZFA-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.32
Rot. Bonds8

About 1-cyclohexylprop-2-enyl diethyl phosphate

1-cyclohexylprop-2-enyl diethyl phosphate (PubChem CID 15098982) has the molecular formula C13H25O4P and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-cyclohexylprop-2-enyl diethyl phosphate.

Molecular Properties

Compound Name1-cyclohexylprop-2-enyl diethyl phosphate
PubChem CID15098982
Molecular FormulaC13H25O4P
Molecular Weight276.31 g/mol
Exact Mass276.15
IUPAC Name1-cyclohexylprop-2-enyl diethyl phosphate
SMILESC=CC(OP(=O)(OCC)OCC)C1CCCCC1
InChIInChI=1S/C13H25O4P/c1-4-13(12-10-8-7-9-11-12)17-18(14,15-5-2)16-6-3/h4,12-13H,1,5-11H2,2-3H3
InChIKeyVVWFMYPWAPGZFA-UHFFFAOYSA-N
XLogP4.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(E,1R)-1-cyclohexylbut-2-enyl] diethyl phosphate
CID 10913271
[(E,1R)-1-cyclohexylhept-2-enyl] diethyl phosphate
CID 11056673
2-Methoxy-4-non-1-en-3-yl-6-undecyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 75986753
(2S,4S,6S)-2-methoxy-4-[(3S)-non-1-en-3-yl]-6-undecyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 53240248
1-Cyclohexyl-2-diethoxyphosphorylbut-3-en-1-ol
CID 100967857
1-Cyclohexylprop-2-enyl dihydrogen phosphate
CID 88232957
1-Cyclohexylethenyl diethyl phosphate
CID 102035159
Bis(2-ethylhexyl) 4-ethyloct-1-en-3-yl phosphate
CID 141012391
1-Cyclohexylethenyl dimethyl phosphate
CID 145830114
1-Cyclohexylbut-2-enyl dihydrogen phosphate
CID 149897304
1-Cyclohexylethoxy(prop-2-enyl)phosphinic acid
CID 174783911
(4-But-3-enylcyclohexyl)oxy-methoxy-methylphosphane
CID 177970320

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylprop-2-enyl diethyl phosphate?
The IUPAC name of 1-cyclohexylprop-2-enyl diethyl phosphate (CID 15098982) is 1-cyclohexylprop-2-enyl diethyl phosphate.
What is the SMILES notation for 1-cyclohexylprop-2-enyl diethyl phosphate?
The canonical SMILES for 1-cyclohexylprop-2-enyl diethyl phosphate is C=CC(OP(=O)(OCC)OCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexylprop-2-enyl diethyl phosphate?
The InChIKey is VVWFMYPWAPGZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25O4P/c1-4-13(12-10-8-7-9-11-12)17-18(14,15-5-2)16-6-3/h4,12-13H,1,5-11H2,2-3H3.
What are the key properties of 1-cyclohexylprop-2-enyl diethyl phosphate?
1-cyclohexylprop-2-enyl diethyl phosphate has a molecular weight of 276.31 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylprop-2-enyl diethyl phosphate is sourced from PubChem (CID 15098982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).