[(3E)-hexa-3,5-dien-3-yl]phosphonic acid

C6H11O3P — CID 88783282

IUPAC[(3E)-hexa-3,5-dien-3-yl]phosphonic acid
SMILESC=C/C=C(\CC)P(=O)(O)O
InChIInChI=1S/C6H11O3P/c1-3-5-6(4-2)10(7,8)9/h3,5H,1,4H2,2H3,(H2,7,8,9)/b6-5+
InChIKeyKRBFGILQNUYWAY-AATRIKPKSA-N
MW162.12 g/mol
LogP1.64
Rot. Bonds3

About [(3E)-hexa-3,5-dien-3-yl]phosphonic acid

[(3E)-hexa-3,5-dien-3-yl]phosphonic acid (PubChem CID 88783282) has the molecular formula C6H11O3P and a molecular weight of 162.12 g/mol. Its IUPAC name is [(3E)-hexa-3,5-dien-3-yl]phosphonic acid.

Molecular Properties

Compound Name[(3E)-hexa-3,5-dien-3-yl]phosphonic acid
PubChem CID88783282
Molecular FormulaC6H11O3P
Molecular Weight162.12 g/mol
Exact Mass162.04
IUPAC Name[(3E)-hexa-3,5-dien-3-yl]phosphonic acid
SMILESC=C/C=C(\CC)P(=O)(O)O
InChIInChI=1S/C6H11O3P/c1-3-5-6(4-2)10(7,8)9/h3,5H,1,4H2,2H3,(H2,7,8,9)/b6-5+
InChIKeyKRBFGILQNUYWAY-AATRIKPKSA-N
XLogP1.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(3E)-hexa-3,5-dien-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 [(3E)-hexa-3,5-dien-3-yl]phosphonic acid?
The IUPAC name of [(3E)-hexa-3,5-dien-3-yl]phosphonic acid (CID 88783282) is [(3E)-hexa-3,5-dien-3-yl]phosphonic acid.
What is the SMILES notation for [(3E)-hexa-3,5-dien-3-yl]phosphonic acid?
The canonical SMILES for [(3E)-hexa-3,5-dien-3-yl]phosphonic acid is C=C/C=C(\CC)P(=O)(O)O.
What is the InChIKey of [(3E)-hexa-3,5-dien-3-yl]phosphonic acid?
The InChIKey is KRBFGILQNUYWAY-AATRIKPKSA-N. The full InChI is InChI=1S/C6H11O3P/c1-3-5-6(4-2)10(7,8)9/h3,5H,1,4H2,2H3,(H2,7,8,9)/b6-5+.
What are the key properties of [(3E)-hexa-3,5-dien-3-yl]phosphonic acid?
[(3E)-hexa-3,5-dien-3-yl]phosphonic acid has a molecular weight of 162.12 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-hexa-3,5-dien-3-yl]phosphonic acid is sourced from PubChem (CID 88783282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).