[(E)-hex-4-enoxy]-methylphosphinate

C7H14O3P- — CID 20726642

IUPAC[(E)-hex-4-enoxy]-methylphosphinate
SMILESC/C=C/CCCOP(C)(=O)[O-]
InChIInChI=1S/C7H15O3P/c1-3-4-5-6-7-10-11(2,8)9/h3-4H,5-7H2,1-2H3,(H,8,9)/p-1/b4-3+
InChIKeyUIIZVEIVBQPSIT-ONEGZZNKSA-M
MW177.16 g/mol
LogP1.54
Rot. Bonds5

About [(E)-hex-4-enoxy]-methylphosphinate

[(E)-hex-4-enoxy]-methylphosphinate (PubChem CID 20726642) has the molecular formula C7H14O3P- and a molecular weight of 177.16 g/mol. Its IUPAC name is [(E)-hex-4-enoxy]-methylphosphinate.

Molecular Properties

Compound Name[(E)-hex-4-enoxy]-methylphosphinate
PubChem CID20726642
Molecular FormulaC7H14O3P-
Molecular Weight177.16 g/mol
Exact Mass177.07
IUPAC Name[(E)-hex-4-enoxy]-methylphosphinate
SMILESC/C=C/CCCOP(C)(=O)[O-]
InChIInChI=1S/C7H15O3P/c1-3-4-5-6-7-10-11(2,8)9/h3-4H,5-7H2,1-2H3,(H,8,9)/p-1/b4-3+
InChIKeyUIIZVEIVBQPSIT-ONEGZZNKSA-M
XLogP1.54
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.54
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 [(E)-hex-4-enoxy]-methylphosphinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Phospholene, 1-ethoxy-3-methyl-, 1-oxide
CID 205862
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
(E)-2-diethoxyphosphorylpent-2-ene
CID 13613003
(E)-4-diethoxyphosphoryloct-4-ene
CID 12160036
butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
CID 11172316
ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
CID 11287176
(E)-3-diethoxyphosphorylpent-2-ene
CID 13613015
(E)-3-diethoxyphosphorylhex-3-ene
CID 15646571
(Z)-3-diethoxyphosphorylhept-2-ene
CID 101401796
(Z)-3-diethoxyphosphorylhex-2-ene
CID 101401799
(Z)-5-diethoxyphosphoryldec-5-ene
CID 101401801
(Z)-1-diethoxyphosphorylhex-3-ene
CID 134980857

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-4-enoxy]-methylphosphinate?
The IUPAC name of [(E)-hex-4-enoxy]-methylphosphinate (CID 20726642) is [(E)-hex-4-enoxy]-methylphosphinate.
What is the SMILES notation for [(E)-hex-4-enoxy]-methylphosphinate?
The canonical SMILES for [(E)-hex-4-enoxy]-methylphosphinate is C/C=C/CCCOP(C)(=O)[O-].
What is the InChIKey of [(E)-hex-4-enoxy]-methylphosphinate?
The InChIKey is UIIZVEIVBQPSIT-ONEGZZNKSA-M. The full InChI is InChI=1S/C7H15O3P/c1-3-4-5-6-7-10-11(2,8)9/h3-4H,5-7H2,1-2H3,(H,8,9)/p-1/b4-3+.
What are the key properties of [(E)-hex-4-enoxy]-methylphosphinate?
[(E)-hex-4-enoxy]-methylphosphinate has a molecular weight of 177.16 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-4-enoxy]-methylphosphinate is sourced from PubChem (CID 20726642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).