3-hydroxy-2-methylnon-3-en-5-one

C10H18O2 — CID 140897674

IUPAC3-hydroxy-2-methylnon-3-en-5-one
SMILESCCCCC(=O)C=C(O)C(C)C
InChIInChI=1S/C10H18O2/c1-4-5-6-9(11)7-10(12)8(2)3/h7-8,12H,4-6H2,1-3H3
InChIKeyILODGOGZZSVUSI-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.84
Rot. Bonds5

About 3-hydroxy-2-methylnon-3-en-5-one

3-hydroxy-2-methylnon-3-en-5-one (PubChem CID 140897674) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-hydroxy-2-methylnon-3-en-5-one.

Molecular Properties

Compound Name3-hydroxy-2-methylnon-3-en-5-one
PubChem CID140897674
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-hydroxy-2-methylnon-3-en-5-one
SMILESCCCCC(=O)C=C(O)C(C)C
InChIInChI=1S/C10H18O2/c1-4-5-6-9(11)7-10(12)8(2)3/h7-8,12H,4-6H2,1-3H3
InChIKeyILODGOGZZSVUSI-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyloct-2-en-4-one
CID 29838
3-ethylnon-3-en-5-one
CID 14567344
1,1-diphenylhept-1-en-3-one
CID 69091035
(Z)-11-hydroxynonadec-10-en-9-one
CID 58983053
(Z)-7-hydroxyhexacos-7-en-9-one
CID 122377980
2-methylheptan-3-one;hydrate
CID 176897102
(Z,3S)-3-acetyloxy-4-hydroxy-6-oxotridec-4-enoic acid
CID 102174895
3-methylbutanoic acid;pentanoic acid
CID 87150377
(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one
CID 5378288
(Z)-11-hydroxy-9-oxodocos-10-enoic acid
CID 10044557
molecular hydrogen;N-propan-2-ylpentanamide
CID 167520420
(Z)-12-methylhenicos-11-en-10-one
CID 122379193

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methylnon-3-en-5-one?
The IUPAC name of 3-hydroxy-2-methylnon-3-en-5-one (CID 140897674) is 3-hydroxy-2-methylnon-3-en-5-one.
What is the SMILES notation for 3-hydroxy-2-methylnon-3-en-5-one?
The canonical SMILES for 3-hydroxy-2-methylnon-3-en-5-one is CCCCC(=O)C=C(O)C(C)C.
What is the InChIKey of 3-hydroxy-2-methylnon-3-en-5-one?
The InChIKey is ILODGOGZZSVUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-6-9(11)7-10(12)8(2)3/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 3-hydroxy-2-methylnon-3-en-5-one?
3-hydroxy-2-methylnon-3-en-5-one has a molecular weight of 170.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methylnon-3-en-5-one is sourced from PubChem (CID 140897674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).