(E)-1-diethoxyphosphorylhept-1-ene

C11H23O3P — CID 10879051

IUPAC(E)-1-diethoxyphosphorylhept-1-ene
SMILESCCCCC/C=C/P(=O)(OCC)OCC
InChIInChI=1S/C11H23O3P/c1-4-7-8-9-10-11-15(12,13-5-2)14-6-3/h10-11H,4-9H2,1-3H3/b11-10+
InChIKeyWTSLUGUUZXLFLB-ZHACJKMWSA-N
MW234.28 g/mol
LogP4.35
Rot. Bonds9

About (E)-1-diethoxyphosphorylhept-1-ene

(E)-1-diethoxyphosphorylhept-1-ene (PubChem CID 10879051) has the molecular formula C11H23O3P and a molecular weight of 234.28 g/mol. Its IUPAC name is (E)-1-diethoxyphosphorylhept-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphorylhept-1-ene
PubChem CID10879051
Molecular FormulaC11H23O3P
Molecular Weight234.28 g/mol
Exact Mass234.14
IUPAC Name(E)-1-diethoxyphosphorylhept-1-ene
SMILESCCCCC/C=C/P(=O)(OCC)OCC
InChIInChI=1S/C11H23O3P/c1-4-7-8-9-10-11-15(12,13-5-2)14-6-3/h10-11H,4-9H2,1-3H3/b11-10+
InChIKeyWTSLUGUUZXLFLB-ZHACJKMWSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 54.35
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-diethoxyphosphorylhept-1-ene?
The IUPAC name of (E)-1-diethoxyphosphorylhept-1-ene (CID 10879051) is (E)-1-diethoxyphosphorylhept-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphorylhept-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphorylhept-1-ene is CCCCC/C=C/P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphorylhept-1-ene?
The InChIKey is WTSLUGUUZXLFLB-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H23O3P/c1-4-7-8-9-10-11-15(12,13-5-2)14-6-3/h10-11H,4-9H2,1-3H3/b11-10+.
What are the key properties of (E)-1-diethoxyphosphorylhept-1-ene?
(E)-1-diethoxyphosphorylhept-1-ene has a molecular weight of 234.28 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphorylhept-1-ene is sourced from PubChem (CID 10879051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).