1-diethoxyphosphorylundecane

C15H33O3P — CID 57360026

IUPAC1-diethoxyphosphorylundecane
SMILESCCCCCCCCCCCP(=O)(OCC)OCC
InChIInChI=1S/C15H33O3P/c1-4-7-8-9-10-11-12-13-14-15-19(16,17-5-2)18-6-3/h4-15H2,1-3H3
InChIKeyBICWTNZQDHXYGV-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.78
Rot. Bonds14

About 1-diethoxyphosphorylundecane

1-diethoxyphosphorylundecane (PubChem CID 57360026) has the molecular formula C15H33O3P and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-diethoxyphosphorylundecane.

Molecular Properties

Compound Name1-diethoxyphosphorylundecane
PubChem CID57360026
Molecular FormulaC15H33O3P
Molecular Weight292.40 g/mol
Exact Mass292.22
IUPAC Name1-diethoxyphosphorylundecane
SMILESCCCCCCCCCCCP(=O)(OCC)OCC
InChIInChI=1S/C15H33O3P/c1-4-7-8-9-10-11-12-13-14-15-19(16,17-5-2)18-6-3/h4-15H2,1-3H3
InChIKeyBICWTNZQDHXYGV-UHFFFAOYSA-N
XLogP5.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-diethoxyphosphorylundecane 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

1-diethoxyphosphoryldecane
CID 2773697
1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748
1-dihexoxyphosphoryltetradecane
CID 151638840
1-dibutoxyphosphoryloctacosane
CID 141204672
1-diheptoxyphosphoryloctadecane
CID 153322672
8-diethoxyphosphoryloctan-1-ol
CID 10515886
amino-(3-diethoxyphosphorylpropyl)-methyl-tetradecylazanium
CID 121391987
3-diethoxyphosphorylpropyl-hexadecyl-dimethylazanium;ethane
CID 145097741
1-diethoxyphosphoryloctadecane;3-ethylicosan-3-ylphosphonic acid
CID 157333830
3-diethoxyphosphorylpropyl-hexadecyl-methylazanium;methanol
CID 145097586
1-[ethoxy(methoxy)phosphoryl]butane
CID 86081258

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphorylundecane?
The IUPAC name of 1-diethoxyphosphorylundecane (CID 57360026) is 1-diethoxyphosphorylundecane.
What is the SMILES notation for 1-diethoxyphosphorylundecane?
The canonical SMILES for 1-diethoxyphosphorylundecane is CCCCCCCCCCCP(=O)(OCC)OCC.
What is the InChIKey of 1-diethoxyphosphorylundecane?
The InChIKey is BICWTNZQDHXYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O3P/c1-4-7-8-9-10-11-12-13-14-15-19(16,17-5-2)18-6-3/h4-15H2,1-3H3.
What are the key properties of 1-diethoxyphosphorylundecane?
1-diethoxyphosphorylundecane has a molecular weight of 292.40 g/mol, XLogP of 5.78, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylundecane is sourced from PubChem (CID 57360026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).