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

C11H20O2 — CID 91212122

IUPAC5-hydroxy-3,5-dimethylnon-3-en-2-one
SMILESCCCCC(C)(O)C=C(C)C(C)=O
InChIInChI=1S/C11H20O2/c1-5-6-7-11(4,13)8-9(2)10(3)12/h8,13H,5-7H2,1-4H3
InChIKeyGGYWULCGDCBDQI-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.46
Rot. Bonds5

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

5-hydroxy-3,5-dimethylnon-3-en-2-one (PubChem CID 91212122) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-hydroxy-3,5-dimethylnon-3-en-2-one.

Molecular Properties

Compound Name5-hydroxy-3,5-dimethylnon-3-en-2-one
PubChem CID91212122
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-hydroxy-3,5-dimethylnon-3-en-2-one
SMILESCCCCC(C)(O)C=C(C)C(C)=O
InChIInChI=1S/C11H20O2/c1-5-6-7-11(4,13)8-9(2)10(3)12/h8,13H,5-7H2,1-4H3
InChIKeyGGYWULCGDCBDQI-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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-5-methylnon-3-en-2-one
CID 87291888
(E)-5,8-dimethyldodec-6-ene-5,8-diol
CID 22223420
(Z)-3-methylpent-3-en-2-one;pentane
CID 54554891
gold;2-methylhexan-2-ol
CID 18513333
2-methylhexan-2-ol;yttrium
CID 58823506
ethyl (3R)-3-acetyl-3-methylheptanoate
CID 16719375
3-butyl-3-hydroxyheptan-2-one
CID 11521205
2-hydroxy-2-methylundecanal
CID 66038378
ethyl (2S)-2-acetyl-2-methylhexanoate
CID 10679537
(E)-1-bromo-3-methyloct-1-en-3-ol
CID 13226796
ethyl 4-hydroxy-4,6-dimethylhept-5-enoate
CID 66323403
pentane-1,1,1-tricarboxylic acid
CID 19386814

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,5-dimethylnon-3-en-2-one?
The IUPAC name of 5-hydroxy-3,5-dimethylnon-3-en-2-one (CID 91212122) is 5-hydroxy-3,5-dimethylnon-3-en-2-one.
What is the SMILES notation for 5-hydroxy-3,5-dimethylnon-3-en-2-one?
The canonical SMILES for 5-hydroxy-3,5-dimethylnon-3-en-2-one is CCCCC(C)(O)C=C(C)C(C)=O.
What is the InChIKey of 5-hydroxy-3,5-dimethylnon-3-en-2-one?
The InChIKey is GGYWULCGDCBDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-6-7-11(4,13)8-9(2)10(3)12/h8,13H,5-7H2,1-4H3.
What are the key properties of 5-hydroxy-3,5-dimethylnon-3-en-2-one?
5-hydroxy-3,5-dimethylnon-3-en-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,5-dimethylnon-3-en-2-one is sourced from PubChem (CID 91212122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).