(5E)-4-hydroxy-6,10-dimethylundeca-5,9-dien-2-one

C13H22O2 — CID 11218067

IUPAC(5E)-4-hydroxy-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=O)CC(O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-13(15)9-12(4)14/h6,8,13,15H,5,7,9H2,1-4H3/b11-8+
InChIKeyCUEGEJLBVIFULZ-DHZHZOJOSA-N
MW210.32 g/mol
LogP3.02
Rot. Bonds6

About (5E)-4-hydroxy-6,10-dimethylundeca-5,9-dien-2-one

(5E)-4-hydroxy-6,10-dimethylundeca-5,9-dien-2-one (PubChem CID 11218067) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (5E)-4-hydroxy-6,10-dimethylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5E)-4-hydroxy-6,10-dimethylundeca-5,9-dien-2-one
PubChem CID11218067
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(5E)-4-hydroxy-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=O)CC(O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-13(15)9-12(4)14/h6,8,13,15H,5,7,9H2,1-4H3/b11-8+
InChIKeyCUEGEJLBVIFULZ-DHZHZOJOSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E)-4-hydroxy-6,10-dimethylundeca-5,9-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)-4-hydroxy-6,10-dimethylundeca-5,9-dien-2-one?
The IUPAC name of (5E)-4-hydroxy-6,10-dimethylundeca-5,9-dien-2-one (CID 11218067) is (5E)-4-hydroxy-6,10-dimethylundeca-5,9-dien-2-one.
What is the SMILES notation for (5E)-4-hydroxy-6,10-dimethylundeca-5,9-dien-2-one?
The canonical SMILES for (5E)-4-hydroxy-6,10-dimethylundeca-5,9-dien-2-one is CC(=O)CC(O)/C=C(\C)CCC=C(C)C.
What is the InChIKey of (5E)-4-hydroxy-6,10-dimethylundeca-5,9-dien-2-one?
The InChIKey is CUEGEJLBVIFULZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-13(15)9-12(4)14/h6,8,13,15H,5,7,9H2,1-4H3/b11-8+.
What are the key properties of (5E)-4-hydroxy-6,10-dimethylundeca-5,9-dien-2-one?
(5E)-4-hydroxy-6,10-dimethylundeca-5,9-dien-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-hydroxy-6,10-dimethylundeca-5,9-dien-2-one is sourced from PubChem (CID 11218067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).