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

Related Compounds

Diethyl [(hydroxy)[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]]methylphosphonate
CID 129769933
1-Cyclohexyl-2-(diethoxyphosphorylmethyl)pent-4-en-2-ol
CID 10543589
cis-(1S,2S)-2-diethoxyphosphoryl-1-prop-2-enylcyclohexan-1-ol
CID 10660075
trans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol
CID 23420159
trans-(1R,2R)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclohexan-1-ol
CID 23420160
1-Cyclohexyl-2-diethoxyphosphorylbut-3-en-1-ol
CID 100967857
1-(1-Diethoxyphosphoryl-3,7-dimethyloct-6-enyl)cyclohexan-1-ol
CID 10547443
(E)-1-diethoxyphosphoryl-3-methylundec-1-en-4-ol
CID 10663508
trans-(1S,2S)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclohexan-1-ol
CID 10803430
trans-(1S,2S)-1-but-3-en-2-yl-2-diethoxyphosphorylcyclopentan-1-ol
CID 10850052
4-tert-butyl-1-[(1S)-1-diethoxyphosphorylprop-2-enyl]cyclohexan-1-ol
CID 10882155
(4E)-4-(diethoxyphosphorylmethylidene)-2,3-dimethyloctan-3-ol
CID 11347315

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).