[(E)-hex-3-en-3-yl]phosphonic acid

C6H13O3P — CID 22899963

IUPAC[(E)-hex-3-en-3-yl]phosphonic acid
SMILESCC/C=C(\CC)P(=O)(O)O
InChIInChI=1S/C6H13O3P/c1-3-5-6(4-2)10(7,8)9/h5H,3-4H2,1-2H3,(H2,7,8,9)/b6-5+
InChIKeyJSBJJJZRGVBXTJ-AATRIKPKSA-N
MW164.14 g/mol
LogP1.87
Rot. Bonds3

About [(E)-hex-3-en-3-yl]phosphonic acid

[(E)-hex-3-en-3-yl]phosphonic acid (PubChem CID 22899963) has the molecular formula C6H13O3P and a molecular weight of 164.14 g/mol. Its IUPAC name is [(E)-hex-3-en-3-yl]phosphonic acid.

Molecular Properties

Compound Name[(E)-hex-3-en-3-yl]phosphonic acid
PubChem CID22899963
Molecular FormulaC6H13O3P
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Name[(E)-hex-3-en-3-yl]phosphonic acid
SMILESCC/C=C(\CC)P(=O)(O)O
InChIInChI=1S/C6H13O3P/c1-3-5-6(4-2)10(7,8)9/h5H,3-4H2,1-2H3,(H2,7,8,9)/b6-5+
InChIKeyJSBJJJZRGVBXTJ-AATRIKPKSA-N
XLogP1.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(E)-hex-3-en-3-yl]phosphonic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-3-en-3-yl]phosphonic acid?
The IUPAC name of [(E)-hex-3-en-3-yl]phosphonic acid (CID 22899963) is [(E)-hex-3-en-3-yl]phosphonic acid.
What is the SMILES notation for [(E)-hex-3-en-3-yl]phosphonic acid?
The canonical SMILES for [(E)-hex-3-en-3-yl]phosphonic acid is CC/C=C(\CC)P(=O)(O)O.
What is the InChIKey of [(E)-hex-3-en-3-yl]phosphonic acid?
The InChIKey is JSBJJJZRGVBXTJ-AATRIKPKSA-N. The full InChI is InChI=1S/C6H13O3P/c1-3-5-6(4-2)10(7,8)9/h5H,3-4H2,1-2H3,(H2,7,8,9)/b6-5+.
What are the key properties of [(E)-hex-3-en-3-yl]phosphonic acid?
[(E)-hex-3-en-3-yl]phosphonic acid has a molecular weight of 164.14 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-3-en-3-yl]phosphonic acid is sourced from PubChem (CID 22899963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).