5-diethoxyphosphorylpentadec-1-ene

C19H39O3P — CID 21054140

IUPAC5-diethoxyphosphorylpentadec-1-ene
SMILESC=CCCC(CCCCCCCCCC)P(=O)(OCC)OCC
InChIInChI=1S/C19H39O3P/c1-5-9-11-12-13-14-15-16-18-19(17-10-6-2)23(20,21-7-3)22-8-4/h6,19H,2,5,7-18H2,1,3-4H3
InChIKeyNYCJPEMFCZUHPS-UHFFFAOYSA-N
MW346.49 g/mol
LogP7.12
Rot. Bonds17

About 5-diethoxyphosphorylpentadec-1-ene

5-diethoxyphosphorylpentadec-1-ene (PubChem CID 21054140) has the molecular formula C19H39O3P and a molecular weight of 346.49 g/mol. Its IUPAC name is 5-diethoxyphosphorylpentadec-1-ene.

Molecular Properties

Compound Name5-diethoxyphosphorylpentadec-1-ene
PubChem CID21054140
Molecular FormulaC19H39O3P
Molecular Weight346.49 g/mol
Exact Mass346.26
IUPAC Name5-diethoxyphosphorylpentadec-1-ene
SMILESC=CCCC(CCCCCCCCCC)P(=O)(OCC)OCC
InChIInChI=1S/C19H39O3P/c1-5-9-11-12-13-14-15-16-18-19(17-10-6-2)23(20,21-7-3)22-8-4/h6,19H,2,5,7-18H2,1,3-4H3
InChIKeyNYCJPEMFCZUHPS-UHFFFAOYSA-N
XLogP7.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.49
LogP ≤ 57.12
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphorylpentadec-1-ene?
The IUPAC name of 5-diethoxyphosphorylpentadec-1-ene (CID 21054140) is 5-diethoxyphosphorylpentadec-1-ene.
What is the SMILES notation for 5-diethoxyphosphorylpentadec-1-ene?
The canonical SMILES for 5-diethoxyphosphorylpentadec-1-ene is C=CCCC(CCCCCCCCCC)P(=O)(OCC)OCC.
What is the InChIKey of 5-diethoxyphosphorylpentadec-1-ene?
The InChIKey is NYCJPEMFCZUHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39O3P/c1-5-9-11-12-13-14-15-16-18-19(17-10-6-2)23(20,21-7-3)22-8-4/h6,19H,2,5,7-18H2,1,3-4H3.
What are the key properties of 5-diethoxyphosphorylpentadec-1-ene?
5-diethoxyphosphorylpentadec-1-ene has a molecular weight of 346.49 g/mol, XLogP of 7.12, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphorylpentadec-1-ene is sourced from PubChem (CID 21054140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).