(5E,7E)-4-hydroxynona-5,7-dien-2-one

C9H14O2 — CID 10176228

IUPAC(5E,7E)-4-hydroxynona-5,7-dien-2-one
SMILESC/C=C/C=C/C(O)CC(C)=O
InChIInChI=1S/C9H14O2/c1-3-4-5-6-9(11)7-8(2)10/h3-6,9,11H,7H2,1-2H3/b4-3+,6-5+
InChIKeyGJJWWGQYXYPBSB-VNKDHWASSA-N
MW154.21 g/mol
LogP1.46
Rot. Bonds4

About (5E,7E)-4-hydroxynona-5,7-dien-2-one

(5E,7E)-4-hydroxynona-5,7-dien-2-one (PubChem CID 10176228) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (5E,7E)-4-hydroxynona-5,7-dien-2-one.

Molecular Properties

Compound Name(5E,7E)-4-hydroxynona-5,7-dien-2-one
PubChem CID10176228
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(5E,7E)-4-hydroxynona-5,7-dien-2-one
SMILESC/C=C/C=C/C(O)CC(C)=O
InChIInChI=1S/C9H14O2/c1-3-4-5-6-9(11)7-8(2)10/h3-6,9,11H,7H2,1-2H3/b4-3+,6-5+
InChIKeyGJJWWGQYXYPBSB-VNKDHWASSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E,7E)-4-hydroxynona-5,7-dien-2-one 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 (5E,7E)-4-hydroxynona-5,7-dien-2-one?
The IUPAC name of (5E,7E)-4-hydroxynona-5,7-dien-2-one (CID 10176228) is (5E,7E)-4-hydroxynona-5,7-dien-2-one.
What is the SMILES notation for (5E,7E)-4-hydroxynona-5,7-dien-2-one?
The canonical SMILES for (5E,7E)-4-hydroxynona-5,7-dien-2-one is C/C=C/C=C/C(O)CC(C)=O.
What is the InChIKey of (5E,7E)-4-hydroxynona-5,7-dien-2-one?
The InChIKey is GJJWWGQYXYPBSB-VNKDHWASSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-5-6-9(11)7-8(2)10/h3-6,9,11H,7H2,1-2H3/b4-3+,6-5+.
What are the key properties of (5E,7E)-4-hydroxynona-5,7-dien-2-one?
(5E,7E)-4-hydroxynona-5,7-dien-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-4-hydroxynona-5,7-dien-2-one is sourced from PubChem (CID 10176228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).