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

C8H12O2 — CID 172777629

IUPAC4-hydroxy-2,3-dimethylcyclohex-2-en-1-one
SMILESCC1=C(C)C(O)CCC1=O
InChIInChI=1S/C8H12O2/c1-5-6(2)8(10)4-3-7(5)9/h7,9H,3-4H2,1-2H3
InChIKeyNUWXUEXAMYUVGZ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.05
Rot. Bonds

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

4-hydroxy-2,3-dimethylcyclohex-2-en-1-one (PubChem CID 172777629) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-hydroxy-2,3-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2,3-dimethylcyclohex-2-en-1-one
PubChem CID172777629
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-hydroxy-2,3-dimethylcyclohex-2-en-1-one
SMILESCC1=C(C)C(O)CCC1=O
InChIInChI=1S/C8H12O2/c1-5-6(2)8(10)4-3-7(5)9/h7,9H,3-4H2,1-2H3
InChIKeyNUWXUEXAMYUVGZ-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 4-hydroxy-2,3-dimethylcyclohex-2-en-1-one?
The IUPAC name of 4-hydroxy-2,3-dimethylcyclohex-2-en-1-one (CID 172777629) is 4-hydroxy-2,3-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2,3-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 4-hydroxy-2,3-dimethylcyclohex-2-en-1-one is CC1=C(C)C(O)CCC1=O.
What is the InChIKey of 4-hydroxy-2,3-dimethylcyclohex-2-en-1-one?
The InChIKey is NUWXUEXAMYUVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-6(2)8(10)4-3-7(5)9/h7,9H,3-4H2,1-2H3.
What are the key properties of 4-hydroxy-2,3-dimethylcyclohex-2-en-1-one?
4-hydroxy-2,3-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-2,3-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 172777629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).