8-diethoxyphosphoryloct-1-ene

C12H25O3P — CID 10682001

IUPAC8-diethoxyphosphoryloct-1-ene
SMILESC=CCCCCCCP(=O)(OCC)OCC
InChIInChI=1S/C12H25O3P/c1-4-7-8-9-10-11-12-16(13,14-5-2)15-6-3/h4H,1,5-12H2,2-3H3
InChIKeyXAPZLYDPFNLYJQ-UHFFFAOYSA-N
MW248.30 g/mol
LogP4.39
Rot. Bonds11

About 8-diethoxyphosphoryloct-1-ene

8-diethoxyphosphoryloct-1-ene (PubChem CID 10682001) has the molecular formula C12H25O3P and a molecular weight of 248.30 g/mol. Its IUPAC name is 8-diethoxyphosphoryloct-1-ene.

Molecular Properties

Compound Name8-diethoxyphosphoryloct-1-ene
PubChem CID10682001
Molecular FormulaC12H25O3P
Molecular Weight248.30 g/mol
Exact Mass248.15
IUPAC Name8-diethoxyphosphoryloct-1-ene
SMILESC=CCCCCCCP(=O)(OCC)OCC
InChIInChI=1S/C12H25O3P/c1-4-7-8-9-10-11-12-16(13,14-5-2)15-6-3/h4H,1,5-12H2,2-3H3
InChIKeyXAPZLYDPFNLYJQ-UHFFFAOYSA-N
XLogP4.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 54.39
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 8-diethoxyphosphoryloct-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 8-diethoxyphosphoryloct-1-ene?
The IUPAC name of 8-diethoxyphosphoryloct-1-ene (CID 10682001) is 8-diethoxyphosphoryloct-1-ene.
What is the SMILES notation for 8-diethoxyphosphoryloct-1-ene?
The canonical SMILES for 8-diethoxyphosphoryloct-1-ene is C=CCCCCCCP(=O)(OCC)OCC.
What is the InChIKey of 8-diethoxyphosphoryloct-1-ene?
The InChIKey is XAPZLYDPFNLYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O3P/c1-4-7-8-9-10-11-12-16(13,14-5-2)15-6-3/h4H,1,5-12H2,2-3H3.
What are the key properties of 8-diethoxyphosphoryloct-1-ene?
8-diethoxyphosphoryloct-1-ene has a molecular weight of 248.30 g/mol, XLogP of 4.39, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-diethoxyphosphoryloct-1-ene is sourced from PubChem (CID 10682001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).