1-(diethoxyphosphorylmethyl)cyclohexene

C11H21O3P — CID 11096460

IUPAC1-(diethoxyphosphorylmethyl)cyclohexene
SMILESCCOP(=O)(CC1=CCCCC1)OCC
InChIInChI=1S/C11H21O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h8H,3-7,9-10H2,1-2H3
InChIKeyBLXWDGCKFVBORO-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.75
Rot. Bonds6

About 1-(diethoxyphosphorylmethyl)cyclohexene

1-(diethoxyphosphorylmethyl)cyclohexene (PubChem CID 11096460) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-(diethoxyphosphorylmethyl)cyclohexene.

Molecular Properties

Compound Name1-(diethoxyphosphorylmethyl)cyclohexene
PubChem CID11096460
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name1-(diethoxyphosphorylmethyl)cyclohexene
SMILESCCOP(=O)(CC1=CCCCC1)OCC
InChIInChI=1S/C11H21O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h8H,3-7,9-10H2,1-2H3
InChIKeyBLXWDGCKFVBORO-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.75
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'}

Analyze 1-(diethoxyphosphorylmethyl)cyclohexene 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 1-(diethoxyphosphorylmethyl)cyclohexene?
The IUPAC name of 1-(diethoxyphosphorylmethyl)cyclohexene (CID 11096460) is 1-(diethoxyphosphorylmethyl)cyclohexene.
What is the SMILES notation for 1-(diethoxyphosphorylmethyl)cyclohexene?
The canonical SMILES for 1-(diethoxyphosphorylmethyl)cyclohexene is CCOP(=O)(CC1=CCCCC1)OCC.
What is the InChIKey of 1-(diethoxyphosphorylmethyl)cyclohexene?
The InChIKey is BLXWDGCKFVBORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O3P/c1-3-13-15(12,14-4-2)10-11-8-6-5-7-9-11/h8H,3-7,9-10H2,1-2H3.
What are the key properties of 1-(diethoxyphosphorylmethyl)cyclohexene?
1-(diethoxyphosphorylmethyl)cyclohexene has a molecular weight of 232.26 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxyphosphorylmethyl)cyclohexene is sourced from PubChem (CID 11096460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).