2-hydroxy-6-methylcyclohex-2-en-1-one

C7H10O2 — CID 14494141

IUPAC2-hydroxy-6-methylcyclohex-2-en-1-one
SMILESCC1CCC=C(O)C1=O
InChIInChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h4-5,8H,2-3H2,1H3
InChIKeyBLAZHMYXPJWTLH-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.43
Rot. Bonds

About 2-hydroxy-6-methylcyclohex-2-en-1-one

2-hydroxy-6-methylcyclohex-2-en-1-one (PubChem CID 14494141) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-hydroxy-6-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-6-methylcyclohex-2-en-1-one
PubChem CID14494141
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-hydroxy-6-methylcyclohex-2-en-1-one
SMILESCC1CCC=C(O)C1=O
InChIInChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h4-5,8H,2-3H2,1H3
InChIKeyBLAZHMYXPJWTLH-UHFFFAOYSA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-6-prop-2-enylcyclohex-2-en-1-one
CID 86084588
(5S)-5-methylcyclopentene-1-carbaldehyde
CID 101259456
(5S)-1,5-dimethyl-6-methylidenecyclohexene
CID 163946198
5,6-dibromo-2-hydroxycyclohex-2-en-1-one
CID 146178952
2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol
CID 14114555
(3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
CID 135068428
2,7-dimethyl-2,3,4,5,6,7-hexahydroanthracene-1,8-dione
CID 143073531
1-fluoro-3,7-dimethylcyclohepta-1,3-diene
CID 145318175
(3S,6Z,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
CID 14106072
(3R,6Z,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
CID 24836956
(3S,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
CID 6441391
1-diethoxyphosphoryl-5-methylcyclopentene
CID 11160270

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methylcyclohex-2-en-1-one?
The IUPAC name of 2-hydroxy-6-methylcyclohex-2-en-1-one (CID 14494141) is 2-hydroxy-6-methylcyclohex-2-en-1-one.
What is the SMILES notation for 2-hydroxy-6-methylcyclohex-2-en-1-one?
The canonical SMILES for 2-hydroxy-6-methylcyclohex-2-en-1-one is CC1CCC=C(O)C1=O.
What is the InChIKey of 2-hydroxy-6-methylcyclohex-2-en-1-one?
The InChIKey is BLAZHMYXPJWTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h4-5,8H,2-3H2,1H3.
What are the key properties of 2-hydroxy-6-methylcyclohex-2-en-1-one?
2-hydroxy-6-methylcyclohex-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methylcyclohex-2-en-1-one is sourced from PubChem (CID 14494141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).