2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol

C15H29O4P — CID 11066665

IUPAC2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol
SMILESC=CCC(O)(CP(=O)(OCC)OCC)C1CCCCC1
InChIInChI=1S/C15H29O4P/c1-4-12-15(16,14-10-8-7-9-11-14)13-20(17,18-5-2)19-6-3/h4,14,16H,1,5-13H2,2-3H3
InChIKeyVFUDCNKKJWGOGR-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.14
Rot. Bonds9

About 2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol

2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol (PubChem CID 11066665) has the molecular formula C15H29O4P and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol.

Molecular Properties

Compound Name2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol
PubChem CID11066665
Molecular FormulaC15H29O4P
Molecular Weight304.37 g/mol
Exact Mass304.18
IUPAC Name2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol
SMILESC=CCC(O)(CP(=O)(OCC)OCC)C1CCCCC1
InChIInChI=1S/C15H29O4P/c1-4-12-15(16,14-10-8-7-9-11-14)13-20(17,18-5-2)19-6-3/h4,14,16H,1,5-13H2,2-3H3
InChIKeyVFUDCNKKJWGOGR-UHFFFAOYSA-N
XLogP4.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol?
The IUPAC name of 2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol (CID 11066665) is 2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol.
What is the SMILES notation for 2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol?
The canonical SMILES for 2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol is C=CCC(O)(CP(=O)(OCC)OCC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol?
The InChIKey is VFUDCNKKJWGOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29O4P/c1-4-12-15(16,14-10-8-7-9-11-14)13-20(17,18-5-2)19-6-3/h4,14,16H,1,5-13H2,2-3H3.
What are the key properties of 2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol?
2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol has a molecular weight of 304.37 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-diethoxyphosphorylpent-4-en-2-ol is sourced from PubChem (CID 11066665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).