3-diethoxyphosphoryldodec-1-ene

C16H33O3P — CID 10709651

IUPAC3-diethoxyphosphoryldodec-1-ene
SMILESC=CC(CCCCCCCCC)P(=O)(OCC)OCC
InChIInChI=1S/C16H33O3P/c1-5-9-10-11-12-13-14-15-16(6-2)20(17,18-7-3)19-8-4/h6,16H,2,5,7-15H2,1,3-4H3
InChIKeyZEHBCSZHWDLWFJ-UHFFFAOYSA-N
MW304.41 g/mol
LogP5.95
Rot. Bonds14

About 3-diethoxyphosphoryldodec-1-ene

3-diethoxyphosphoryldodec-1-ene (PubChem CID 10709651) has the molecular formula C16H33O3P and a molecular weight of 304.41 g/mol. Its IUPAC name is 3-diethoxyphosphoryldodec-1-ene.

Molecular Properties

Compound Name3-diethoxyphosphoryldodec-1-ene
PubChem CID10709651
Molecular FormulaC16H33O3P
Molecular Weight304.41 g/mol
Exact Mass304.22
IUPAC Name3-diethoxyphosphoryldodec-1-ene
SMILESC=CC(CCCCCCCCC)P(=O)(OCC)OCC
InChIInChI=1S/C16H33O3P/c1-5-9-10-11-12-13-14-15-16(6-2)20(17,18-7-3)19-8-4/h6,16H,2,5,7-15H2,1,3-4H3
InChIKeyZEHBCSZHWDLWFJ-UHFFFAOYSA-N
XLogP5.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.41
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-diethoxyphosphoryldodec-1-ene 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 3-diethoxyphosphoryldodec-1-ene?
The IUPAC name of 3-diethoxyphosphoryldodec-1-ene (CID 10709651) is 3-diethoxyphosphoryldodec-1-ene.
What is the SMILES notation for 3-diethoxyphosphoryldodec-1-ene?
The canonical SMILES for 3-diethoxyphosphoryldodec-1-ene is C=CC(CCCCCCCCC)P(=O)(OCC)OCC.
What is the InChIKey of 3-diethoxyphosphoryldodec-1-ene?
The InChIKey is ZEHBCSZHWDLWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33O3P/c1-5-9-10-11-12-13-14-15-16(6-2)20(17,18-7-3)19-8-4/h6,16H,2,5,7-15H2,1,3-4H3.
What are the key properties of 3-diethoxyphosphoryldodec-1-ene?
3-diethoxyphosphoryldodec-1-ene has a molecular weight of 304.41 g/mol, XLogP of 5.95, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryldodec-1-ene is sourced from PubChem (CID 10709651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).