1-diethoxyphosphorylcyclohexan-1-ol

C10H21O4P — CID 11831412

IUPAC1-diethoxyphosphorylcyclohexan-1-ol
SMILESCCOP(=O)(OCC)C1(O)CCCCC1
InChIInChI=1S/C10H21O4P/c1-3-13-15(12,14-4-2)10(11)8-6-5-7-9-10/h11H,3-9H2,1-2H3
InChIKeyULLSIKJLHBSWMD-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.91
Rot. Bonds5

About 1-diethoxyphosphorylcyclohexan-1-ol

1-diethoxyphosphorylcyclohexan-1-ol (PubChem CID 11831412) has the molecular formula C10H21O4P and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-diethoxyphosphorylcyclohexan-1-ol.

Molecular Properties

Compound Name1-diethoxyphosphorylcyclohexan-1-ol
PubChem CID11831412
Molecular FormulaC10H21O4P
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name1-diethoxyphosphorylcyclohexan-1-ol
SMILESCCOP(=O)(OCC)C1(O)CCCCC1
InChIInChI=1S/C10H21O4P/c1-3-13-15(12,14-4-2)10(11)8-6-5-7-9-10/h11H,3-9H2,1-2H3
InChIKeyULLSIKJLHBSWMD-UHFFFAOYSA-N
XLogP2.91
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-diethoxyphosphorylcyclohexan-1-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 1-diethoxyphosphorylcyclohexan-1-ol?
The IUPAC name of 1-diethoxyphosphorylcyclohexan-1-ol (CID 11831412) is 1-diethoxyphosphorylcyclohexan-1-ol.
What is the SMILES notation for 1-diethoxyphosphorylcyclohexan-1-ol?
The canonical SMILES for 1-diethoxyphosphorylcyclohexan-1-ol is CCOP(=O)(OCC)C1(O)CCCCC1.
What is the InChIKey of 1-diethoxyphosphorylcyclohexan-1-ol?
The InChIKey is ULLSIKJLHBSWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O4P/c1-3-13-15(12,14-4-2)10(11)8-6-5-7-9-10/h11H,3-9H2,1-2H3.
What are the key properties of 1-diethoxyphosphorylcyclohexan-1-ol?
1-diethoxyphosphorylcyclohexan-1-ol has a molecular weight of 236.25 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylcyclohexan-1-ol is sourced from PubChem (CID 11831412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).