[ethoxy(ethyl)phosphoryl]cyclohexane

C10H21O2P — CID 66729675

IUPAC[ethoxy(ethyl)phosphoryl]cyclohexane
SMILESCCOP(=O)(CC)C1CCCCC1
InChIInChI=1S/C10H21O2P/c1-3-12-13(11,4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
InChIKeyRABLSJQDZWEIKS-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.65
Rot. Bonds4

About [ethoxy(ethyl)phosphoryl]cyclohexane

[ethoxy(ethyl)phosphoryl]cyclohexane (PubChem CID 66729675) has the molecular formula C10H21O2P and a molecular weight of 204.25 g/mol. Its IUPAC name is [ethoxy(ethyl)phosphoryl]cyclohexane.

Molecular Properties

Compound Name[ethoxy(ethyl)phosphoryl]cyclohexane
PubChem CID66729675
Molecular FormulaC10H21O2P
Molecular Weight204.25 g/mol
Exact Mass204.13
IUPAC Name[ethoxy(ethyl)phosphoryl]cyclohexane
SMILESCCOP(=O)(CC)C1CCCCC1
InChIInChI=1S/C10H21O2P/c1-3-12-13(11,4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
InChIKeyRABLSJQDZWEIKS-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [ethoxy(ethyl)phosphoryl]cyclohexane 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(ethyl)phosphoryl]cyclohexane?
The IUPAC name of [ethoxy(ethyl)phosphoryl]cyclohexane (CID 66729675) is [ethoxy(ethyl)phosphoryl]cyclohexane.
What is the SMILES notation for [ethoxy(ethyl)phosphoryl]cyclohexane?
The canonical SMILES for [ethoxy(ethyl)phosphoryl]cyclohexane is CCOP(=O)(CC)C1CCCCC1.
What is the InChIKey of [ethoxy(ethyl)phosphoryl]cyclohexane?
The InChIKey is RABLSJQDZWEIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O2P/c1-3-12-13(11,4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3.
What are the key properties of [ethoxy(ethyl)phosphoryl]cyclohexane?
[ethoxy(ethyl)phosphoryl]cyclohexane has a molecular weight of 204.25 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(ethyl)phosphoryl]cyclohexane is sourced from PubChem (CID 66729675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).