(E)-1-diethoxyphosphorylhexadec-1-ene

C20H41O3P — CID 20520428

IUPAC(E)-1-diethoxyphosphorylhexadec-1-ene
SMILESCCCCCCCCCCCCCC/C=C/P(=O)(OCC)OCC
InChIInChI=1S/C20H41O3P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22-5-2)23-6-3/h19-20H,4-18H2,1-3H3/b20-19+
InChIKeyIVGRFVKRINYXRX-FMQUCBEESA-N
MW360.52 g/mol
LogP7.86
Rot. Bonds18

About (E)-1-diethoxyphosphorylhexadec-1-ene

(E)-1-diethoxyphosphorylhexadec-1-ene (PubChem CID 20520428) has the molecular formula C20H41O3P and a molecular weight of 360.52 g/mol. Its IUPAC name is (E)-1-diethoxyphosphorylhexadec-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphorylhexadec-1-ene
PubChem CID20520428
Molecular FormulaC20H41O3P
Molecular Weight360.52 g/mol
Exact Mass360.28
IUPAC Name(E)-1-diethoxyphosphorylhexadec-1-ene
SMILESCCCCCCCCCCCCCC/C=C/P(=O)(OCC)OCC
InChIInChI=1S/C20H41O3P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22-5-2)23-6-3/h19-20H,4-18H2,1-3H3/b20-19+
InChIKeyIVGRFVKRINYXRX-FMQUCBEESA-N
XLogP7.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.52
LogP ≤ 57.86
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphorylhexadec-1-ene?
The IUPAC name of (E)-1-diethoxyphosphorylhexadec-1-ene (CID 20520428) is (E)-1-diethoxyphosphorylhexadec-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphorylhexadec-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphorylhexadec-1-ene is CCCCCCCCCCCCCC/C=C/P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphorylhexadec-1-ene?
The InChIKey is IVGRFVKRINYXRX-FMQUCBEESA-N. The full InChI is InChI=1S/C20H41O3P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22-5-2)23-6-3/h19-20H,4-18H2,1-3H3/b20-19+.
What are the key properties of (E)-1-diethoxyphosphorylhexadec-1-ene?
(E)-1-diethoxyphosphorylhexadec-1-ene has a molecular weight of 360.52 g/mol, XLogP of 7.86, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphorylhexadec-1-ene is sourced from PubChem (CID 20520428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).