(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one

C13H22O2 — CID 10443111

IUPAC(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CO
InChIInChI=1S/C13H22O2/c1-11(7-5-9-13(3)15)6-4-8-12(2)10-14/h7-8,14H,4-6,9-10H2,1-3H3/b11-7+,12-8+
InChIKeyBCFQXICYGQDFFM-MKICQXMISA-N
MW210.32 g/mol
LogP3.02
Rot. Bonds7

About (5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one

(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one (PubChem CID 10443111) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one
PubChem CID10443111
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CO
InChIInChI=1S/C13H22O2/c1-11(7-5-9-13(3)15)6-4-8-12(2)10-14/h7-8,14H,4-6,9-10H2,1-3H3/b11-7+,12-8+
InChIKeyBCFQXICYGQDFFM-MKICQXMISA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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'}

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Frequently Asked Questions

What is the IUPAC name of (5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one?
The IUPAC name of (5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one (CID 10443111) is (5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one.
What is the SMILES notation for (5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one?
The canonical SMILES for (5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one is CC(=O)CC/C=C(\C)CC/C=C(\C)CO.
What is the InChIKey of (5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one?
The InChIKey is BCFQXICYGQDFFM-MKICQXMISA-N. The full InChI is InChI=1S/C13H22O2/c1-11(7-5-9-13(3)15)6-4-8-12(2)10-14/h7-8,14H,4-6,9-10H2,1-3H3/b11-7+,12-8+.
What are the key properties of (5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one?
(5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-11-hydroxy-6,10-dimethylundeca-5,9-dien-2-one is sourced from PubChem (CID 10443111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).