[ethoxy(propyl)phosphoryl]oxycyclohexane

C11H23O3P — CID 86016162

IUPAC[ethoxy(propyl)phosphoryl]oxycyclohexane
SMILESCCCP(=O)(OCC)OC1CCCCC1
InChIInChI=1S/C11H23O3P/c1-3-10-15(12,13-4-2)14-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3
InChIKeyKLSBOXUAIARKPV-UHFFFAOYSA-N
MW234.28 g/mol
LogP3.98
Rot. Bonds6

About [ethoxy(propyl)phosphoryl]oxycyclohexane

[ethoxy(propyl)phosphoryl]oxycyclohexane (PubChem CID 86016162) has the molecular formula C11H23O3P and a molecular weight of 234.28 g/mol. Its IUPAC name is [ethoxy(propyl)phosphoryl]oxycyclohexane.

Molecular Properties

Compound Name[ethoxy(propyl)phosphoryl]oxycyclohexane
PubChem CID86016162
Molecular FormulaC11H23O3P
Molecular Weight234.28 g/mol
Exact Mass234.14
IUPAC Name[ethoxy(propyl)phosphoryl]oxycyclohexane
SMILESCCCP(=O)(OCC)OC1CCCCC1
InChIInChI=1S/C11H23O3P/c1-3-10-15(12,13-4-2)14-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3
InChIKeyKLSBOXUAIARKPV-UHFFFAOYSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [ethoxy(propyl)phosphoryl]oxycyclohexane 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 [ethoxy(propyl)phosphoryl]oxycyclohexane?
The IUPAC name of [ethoxy(propyl)phosphoryl]oxycyclohexane (CID 86016162) is [ethoxy(propyl)phosphoryl]oxycyclohexane.
What is the SMILES notation for [ethoxy(propyl)phosphoryl]oxycyclohexane?
The canonical SMILES for [ethoxy(propyl)phosphoryl]oxycyclohexane is CCCP(=O)(OCC)OC1CCCCC1.
What is the InChIKey of [ethoxy(propyl)phosphoryl]oxycyclohexane?
The InChIKey is KLSBOXUAIARKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O3P/c1-3-10-15(12,13-4-2)14-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3.
What are the key properties of [ethoxy(propyl)phosphoryl]oxycyclohexane?
[ethoxy(propyl)phosphoryl]oxycyclohexane has a molecular weight of 234.28 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(propyl)phosphoryl]oxycyclohexane is sourced from PubChem (CID 86016162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).