5-hydroxy-3,8-dimethylnon-3-en-2-one

C11H20O2 — CID 91315796

IUPAC5-hydroxy-3,8-dimethylnon-3-en-2-one
SMILESCC(=O)C(C)=CC(O)CCC(C)C
InChIInChI=1S/C11H20O2/c1-8(2)5-6-11(13)7-9(3)10(4)12/h7-8,11,13H,5-6H2,1-4H3
InChIKeyZOWUQHYITYCHPB-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.32
Rot. Bonds5

About 5-hydroxy-3,8-dimethylnon-3-en-2-one

5-hydroxy-3,8-dimethylnon-3-en-2-one (PubChem CID 91315796) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-hydroxy-3,8-dimethylnon-3-en-2-one.

Molecular Properties

Compound Name5-hydroxy-3,8-dimethylnon-3-en-2-one
PubChem CID91315796
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-hydroxy-3,8-dimethylnon-3-en-2-one
SMILESCC(=O)C(C)=CC(O)CCC(C)C
InChIInChI=1S/C11H20O2/c1-8(2)5-6-11(13)7-9(3)10(4)12/h7-8,11,13H,5-6H2,1-4H3
InChIKeyZOWUQHYITYCHPB-UHFFFAOYSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5-hydroxy-3-methylnon-3-en-2-one
CID 87291141
(Z)-5-bromo-3-methylhex-3-en-2-one
CID 163966272
(E)-4,6-dihydroxy-2-methylhex-2-enoic acid
CID 57430856
(E)-5-chloro-3-methylhex-3-en-2-one
CID 13403112
8-hydroxy-2,11-dimethyldodecan-5-one
CID 54387052
(E)-3,5-dimethylhex-3-en-2-one;methane;3-methylbutanoic acid
CID 161004203
methyl 4,8-dihydroxy-2-methylnon-2-enoate
CID 173440070
(E,5R,8R)-5,8-dihydroxynon-3-en-2-one
CID 10866796
6-hydroxy-2,9-dimethyldecan-5-one
CID 44721103
(E)-5-methoxy-3-methylhex-3-en-2-one
CID 87291247
4,6-dihydroxy-2-methylhex-2-enoic acid;2-methylprop-2-enoic acid
CID 173155941
4,17-dihydroxy-2-methylheptadec-2-enoic acid
CID 57306862

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,8-dimethylnon-3-en-2-one?
The IUPAC name of 5-hydroxy-3,8-dimethylnon-3-en-2-one (CID 91315796) is 5-hydroxy-3,8-dimethylnon-3-en-2-one.
What is the SMILES notation for 5-hydroxy-3,8-dimethylnon-3-en-2-one?
The canonical SMILES for 5-hydroxy-3,8-dimethylnon-3-en-2-one is CC(=O)C(C)=CC(O)CCC(C)C.
What is the InChIKey of 5-hydroxy-3,8-dimethylnon-3-en-2-one?
The InChIKey is ZOWUQHYITYCHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)5-6-11(13)7-9(3)10(4)12/h7-8,11,13H,5-6H2,1-4H3.
What are the key properties of 5-hydroxy-3,8-dimethylnon-3-en-2-one?
5-hydroxy-3,8-dimethylnon-3-en-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,8-dimethylnon-3-en-2-one is sourced from PubChem (CID 91315796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).