4-hydroxy-6,10-dimethylundec-9-en-2-one

C13H24O2 — CID 24806326

IUPAC4-hydroxy-6,10-dimethylundec-9-en-2-one
SMILESCC(=O)CC(O)CC(C)CCC=C(C)C
InChIInChI=1S/C13H24O2/c1-10(2)6-5-7-11(3)8-13(15)9-12(4)14/h6,11,13,15H,5,7-9H2,1-4H3
InChIKeyWHZCZPLQNCFJSL-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.10
Rot. Bonds7

About 4-hydroxy-6,10-dimethylundec-9-en-2-one

4-hydroxy-6,10-dimethylundec-9-en-2-one (PubChem CID 24806326) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 4-hydroxy-6,10-dimethylundec-9-en-2-one.

Molecular Properties

Compound Name4-hydroxy-6,10-dimethylundec-9-en-2-one
PubChem CID24806326
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name4-hydroxy-6,10-dimethylundec-9-en-2-one
SMILESCC(=O)CC(O)CC(C)CCC=C(C)C
InChIInChI=1S/C13H24O2/c1-10(2)6-5-7-11(3)8-13(15)9-12(4)14/h6,11,13,15H,5,7-9H2,1-4H3
InChIKeyWHZCZPLQNCFJSL-UHFFFAOYSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10668972
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CID 109182
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CID 111441
Aculene D
CID 146672910
Sipharienolone
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(3R,4E,6R,7S)-3,6-dihydroxy-4-methyl-10-methylidene-7-propan-2-ylcyclodec-4-en-1-one
CID 11368769
2-Hepten-4-one, 6-hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-
CID 558123
(2E,6E)-11-(hydroxymethyl)-10-methoxy-4,4,7-trimethylcycloundeca-2,6-dien-1-one
CID 145976313
(2E,6E,10R,11S)-11-(hydroxymethyl)-10-methoxy-4,4,7-trimethylcycloundeca-2,6-dien-1-one
CID 145978252
Cyperusol B2
CID 11310916
Cyperusol B1
CID 11368366
(E,3S,4R,8S,10S,12S)-3-hydroxy-4,6,8,10,12-pentamethylpentadec-6-en-5-one
CID 10543016

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6,10-dimethylundec-9-en-2-one?
The IUPAC name of 4-hydroxy-6,10-dimethylundec-9-en-2-one (CID 24806326) is 4-hydroxy-6,10-dimethylundec-9-en-2-one.
What is the SMILES notation for 4-hydroxy-6,10-dimethylundec-9-en-2-one?
The canonical SMILES for 4-hydroxy-6,10-dimethylundec-9-en-2-one is CC(=O)CC(O)CC(C)CCC=C(C)C.
What is the InChIKey of 4-hydroxy-6,10-dimethylundec-9-en-2-one?
The InChIKey is WHZCZPLQNCFJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(2)6-5-7-11(3)8-13(15)9-12(4)14/h6,11,13,15H,5,7-9H2,1-4H3.
What are the key properties of 4-hydroxy-6,10-dimethylundec-9-en-2-one?
4-hydroxy-6,10-dimethylundec-9-en-2-one has a molecular weight of 212.33 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6,10-dimethylundec-9-en-2-one is sourced from PubChem (CID 24806326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).