1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one

C10H16O2 — CID 130026689

IUPAC1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one
SMILESCC(=O)C(O)C1CCC=CC1C
InChIInChI=1S/C10H16O2/c1-7-5-3-4-6-9(7)10(12)8(2)11/h3,5,7,9-10,12H,4,6H2,1-2H3
InChIKeyPXTMKHUZEAYMFY-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.54
Rot. Bonds2

About 1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one

1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one (PubChem CID 130026689) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one.

Molecular Properties

Compound Name1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one
PubChem CID130026689
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one
SMILESCC(=O)C(O)C1CCC=CC1C
InChIInChI=1S/C10H16O2/c1-7-5-3-4-6-9(7)10(12)8(2)11/h3,5,7,9-10,12H,4,6H2,1-2H3
InChIKeyPXTMKHUZEAYMFY-UHFFFAOYSA-N
XLogP1.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.54
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

2-hydroxy-2-(2-methylcyclohex-3-en-1-yl)acetamide
CID 13255393
1-(2-methylcyclohex-3-en-1-yl)ethanone
CID 14493390
1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one
CID 130026688
2-methylcyclohex-3-ene-1-carbonyl chloride
CID 45081350
(E)-2-methyl-1-(2-methylcyclohex-3-en-1-yl)but-2-en-1-one
CID 129216565
1-cyclopent-2-en-1-ylethanone
CID 12714402
(2S)-2-cyclopent-2-en-1-yl-2-hydroxyacetic acid
CID 70607167
[(1S)-cyclopent-2-en-1-yl]methanediol
CID 134407008
(3S,4R)-3-methoxy-4-propan-2-ylcyclohexene
CID 134897656
(3R,4R)-3,4-dimethylcycloocta-1,5-diene
CID 129383569
1-[(2E,5Z,9Z)-2,7,8-trimethylcyclododeca-2,5,9-trien-1-yl]ethanone
CID 118541090
1-[(5E,9E)-2,7,8-trimethylcyclododeca-2,5,9-trien-1-yl]ethanone
CID 173203615

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one?
The IUPAC name of 1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one (CID 130026689) is 1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one.
What is the SMILES notation for 1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one?
The canonical SMILES for 1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one is CC(=O)C(O)C1CCC=CC1C.
What is the InChIKey of 1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one?
The InChIKey is PXTMKHUZEAYMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-5-3-4-6-9(7)10(12)8(2)11/h3,5,7,9-10,12H,4,6H2,1-2H3.
What are the key properties of 1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one?
1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one is sourced from PubChem (CID 130026689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).