6-hydroxy-2,6-dimethylcyclohex-2-en-1-one

C8H12O2 — CID 11194381

IUPAC6-hydroxy-2,6-dimethylcyclohex-2-en-1-one
SMILESCC1=CCCC(C)(O)C1=O
InChIInChI=1S/C8H12O2/c1-6-4-3-5-8(2,10)7(6)9/h4,10H,3,5H2,1-2H3
InChIKeyAWCNSIKEPAVUSQ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.05
Rot. Bonds

About 6-hydroxy-2,6-dimethylcyclohex-2-en-1-one

6-hydroxy-2,6-dimethylcyclohex-2-en-1-one (PubChem CID 11194381) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 6-hydroxy-2,6-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-hydroxy-2,6-dimethylcyclohex-2-en-1-one
PubChem CID11194381
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name6-hydroxy-2,6-dimethylcyclohex-2-en-1-one
SMILESCC1=CCCC(C)(O)C1=O
InChIInChI=1S/C8H12O2/c1-6-4-3-5-8(2,10)7(6)9/h4,10H,3,5H2,1-2H3
InChIKeyAWCNSIKEPAVUSQ-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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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,6-dimethylcyclohex-2-en-1-one?
The IUPAC name of 6-hydroxy-2,6-dimethylcyclohex-2-en-1-one (CID 11194381) is 6-hydroxy-2,6-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 6-hydroxy-2,6-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 6-hydroxy-2,6-dimethylcyclohex-2-en-1-one is CC1=CCCC(C)(O)C1=O.
What is the InChIKey of 6-hydroxy-2,6-dimethylcyclohex-2-en-1-one?
The InChIKey is AWCNSIKEPAVUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-4-3-5-8(2,10)7(6)9/h4,10H,3,5H2,1-2H3.
What are the key properties of 6-hydroxy-2,6-dimethylcyclohex-2-en-1-one?
6-hydroxy-2,6-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 6-hydroxy-2,6-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 11194381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).