4-hydroxy-3,4-dimethylcyclohex-2-en-1-one

C8H12O2 — CID 11018952

IUPAC4-hydroxy-3,4-dimethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CCC1(C)O
InChIInChI=1S/C8H12O2/c1-6-5-7(9)3-4-8(6,2)10/h5,10H,3-4H2,1-2H3
InChIKeyIZLTXPMWAPALAY-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.05
Rot. Bonds

About 4-hydroxy-3,4-dimethylcyclohex-2-en-1-one

4-hydroxy-3,4-dimethylcyclohex-2-en-1-one (PubChem CID 11018952) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-hydroxy-3,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-3,4-dimethylcyclohex-2-en-1-one
PubChem CID11018952
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-hydroxy-3,4-dimethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CCC1(C)O
InChIInChI=1S/C8H12O2/c1-6-5-7(9)3-4-8(6,2)10/h5,10H,3-4H2,1-2H3
InChIKeyIZLTXPMWAPALAY-UHFFFAOYSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dehydrovomifoliol
CID 688492
Vomifoliol, (+)-
CID 5280462
4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one
CID 5280662
4-Hydroxy-4-methylcyclohex-2-en-1-one
CID 155465
4-Hydroxy-3,5,5-Trimethylcyclohex-2-Enone
CID 566734
4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one
CID 5280654
(6R)-dehydrovomifoliol
CID 688494
(6S,9S)-vomifoliol
CID 10537120
(6S,7E,9E,11E)-3-Oxo-13-Apo-Alpha-Caroten-13-One
CID 11312272
(6S)-vomifoliol
CID 12444927
(4S)-4-hydroxy-4-methyl-2-[(3R)-2-methyl-6-oxoheptan-3-yl]cyclohex-2-en-1-one
CID 21580967
Indicumenone
CID 46173956

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of 4-hydroxy-3,4-dimethylcyclohex-2-en-1-one (CID 11018952) is 4-hydroxy-3,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 4-hydroxy-3,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 4-hydroxy-3,4-dimethylcyclohex-2-en-1-one is CC1=CC(=O)CCC1(C)O.
What is the InChIKey of 4-hydroxy-3,4-dimethylcyclohex-2-en-1-one?
The InChIKey is IZLTXPMWAPALAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-5-7(9)3-4-8(6,2)10/h5,10H,3-4H2,1-2H3.
What are the key properties of 4-hydroxy-3,4-dimethylcyclohex-2-en-1-one?
4-hydroxy-3,4-dimethylcyclohex-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 11018952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).