11-diethoxyphosphorylundec-1-ene

C15H31O3P — CID 23420214

IUPAC11-diethoxyphosphorylundec-1-ene
SMILESC=CCCCCCCCCCP(=O)(OCC)OCC
InChIInChI=1S/C15H31O3P/c1-4-7-8-9-10-11-12-13-14-15-19(16,17-5-2)18-6-3/h4H,1,5-15H2,2-3H3
InChIKeyLHHVEENJBDKEOB-UHFFFAOYSA-N
MW290.38 g/mol
LogP5.56
Rot. Bonds14

About 11-diethoxyphosphorylundec-1-ene

11-diethoxyphosphorylundec-1-ene (PubChem CID 23420214) has the molecular formula C15H31O3P and a molecular weight of 290.38 g/mol. Its IUPAC name is 11-diethoxyphosphorylundec-1-ene.

Molecular Properties

Compound Name11-diethoxyphosphorylundec-1-ene
PubChem CID23420214
Molecular FormulaC15H31O3P
Molecular Weight290.38 g/mol
Exact Mass290.20
IUPAC Name11-diethoxyphosphorylundec-1-ene
SMILESC=CCCCCCCCCCP(=O)(OCC)OCC
InChIInChI=1S/C15H31O3P/c1-4-7-8-9-10-11-12-13-14-15-19(16,17-5-2)18-6-3/h4H,1,5-15H2,2-3H3
InChIKeyLHHVEENJBDKEOB-UHFFFAOYSA-N
XLogP5.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.38
LogP ≤ 55.56
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 11-diethoxyphosphorylundec-1-ene?
The IUPAC name of 11-diethoxyphosphorylundec-1-ene (CID 23420214) is 11-diethoxyphosphorylundec-1-ene.
What is the SMILES notation for 11-diethoxyphosphorylundec-1-ene?
The canonical SMILES for 11-diethoxyphosphorylundec-1-ene is C=CCCCCCCCCCP(=O)(OCC)OCC.
What is the InChIKey of 11-diethoxyphosphorylundec-1-ene?
The InChIKey is LHHVEENJBDKEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31O3P/c1-4-7-8-9-10-11-12-13-14-15-19(16,17-5-2)18-6-3/h4H,1,5-15H2,2-3H3.
What are the key properties of 11-diethoxyphosphorylundec-1-ene?
11-diethoxyphosphorylundec-1-ene has a molecular weight of 290.38 g/mol, XLogP of 5.56, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-diethoxyphosphorylundec-1-ene is sourced from PubChem (CID 23420214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).