[(E)-3-cyclohexylbut-2-enyl] diethyl phosphate

C14H27O4P — CID 11403548

IUPAC[(E)-3-cyclohexylbut-2-enyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC/C=C(\C)C1CCCCC1
InChIInChI=1S/C14H27O4P/c1-4-16-19(15,17-5-2)18-12-11-13(3)14-9-7-6-8-10-14/h11,14H,4-10,12H2,1-3H3/b13-11+
InChIKeyRYAHKGNQUIQZFM-ACCUITESSA-N
MW290.34 g/mol
LogP4.71
Rot. Bonds8

About [(E)-3-cyclohexylbut-2-enyl] diethyl phosphate

[(E)-3-cyclohexylbut-2-enyl] diethyl phosphate (PubChem CID 11403548) has the molecular formula C14H27O4P and a molecular weight of 290.34 g/mol. Its IUPAC name is [(E)-3-cyclohexylbut-2-enyl] diethyl phosphate.

Molecular Properties

Compound Name[(E)-3-cyclohexylbut-2-enyl] diethyl phosphate
PubChem CID11403548
Molecular FormulaC14H27O4P
Molecular Weight290.34 g/mol
Exact Mass290.16
IUPAC Name[(E)-3-cyclohexylbut-2-enyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC/C=C(\C)C1CCCCC1
InChIInChI=1S/C14H27O4P/c1-4-16-19(15,17-5-2)18-12-11-13(3)14-9-7-6-8-10-14/h11,14H,4-10,12H2,1-3H3/b13-11+
InChIKeyRYAHKGNQUIQZFM-ACCUITESSA-N
XLogP4.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 54.71
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'}

Analyze [(E)-3-cyclohexylbut-2-enyl] diethyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-3-cyclohexylbut-2-enyl] methyl carbonate
CID 11031157
(Z)-1-cyclohexyl-2-diethoxyphosphorylbut-2-en-1-one
CID 100967866
acetic acid;triethyl phosphate
CID 161446956
4-cyclohexylpent-3-en-1-amine
CID 76996947
ethyl (E)-3-cyclopentylbut-2-enoate
CID 89095864
cyclohexyl ethyl methyl phosphate
CID 66729683
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373
diethyl [(1S,2R)-2-hydroxycyclohexyl] phosphate
CID 177390470
4-cyclohexylpent-3-enenitrile
CID 118480792
5-bromopent-2-en-2-ylcyclopentane
CID 72698250
(E)-3-cyclopentyl-1-ethoxybut-2-en-1-ol
CID 130270426
ethyl (E)-3-cyclobutylbut-2-enoate
CID 89095848

Frequently Asked Questions

What is the IUPAC name of [(E)-3-cyclohexylbut-2-enyl] diethyl phosphate?
The IUPAC name of [(E)-3-cyclohexylbut-2-enyl] diethyl phosphate (CID 11403548) is [(E)-3-cyclohexylbut-2-enyl] diethyl phosphate.
What is the SMILES notation for [(E)-3-cyclohexylbut-2-enyl] diethyl phosphate?
The canonical SMILES for [(E)-3-cyclohexylbut-2-enyl] diethyl phosphate is CCOP(=O)(OCC)OC/C=C(\C)C1CCCCC1.
What is the InChIKey of [(E)-3-cyclohexylbut-2-enyl] diethyl phosphate?
The InChIKey is RYAHKGNQUIQZFM-ACCUITESSA-N. The full InChI is InChI=1S/C14H27O4P/c1-4-16-19(15,17-5-2)18-12-11-13(3)14-9-7-6-8-10-14/h11,14H,4-10,12H2,1-3H3/b13-11+.
What are the key properties of [(E)-3-cyclohexylbut-2-enyl] diethyl phosphate?
[(E)-3-cyclohexylbut-2-enyl] diethyl phosphate has a molecular weight of 290.34 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-cyclohexylbut-2-enyl] diethyl phosphate is sourced from PubChem (CID 11403548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).