5-hydroxy-5-methylcyclohex-2-en-1-one

C7H10O2 — CID 89287800

IUPAC5-hydroxy-5-methylcyclohex-2-en-1-one
SMILESCC1(O)CC=CC(=O)C1
InChIInChI=1S/C7H10O2/c1-7(9)4-2-3-6(8)5-7/h2-3,9H,4-5H2,1H3
InChIKeyNLXZONNNMGXZFM-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.66
Rot. Bonds

About 5-hydroxy-5-methylcyclohex-2-en-1-one

5-hydroxy-5-methylcyclohex-2-en-1-one (PubChem CID 89287800) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 5-hydroxy-5-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5-hydroxy-5-methylcyclohex-2-en-1-one
PubChem CID89287800
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name5-hydroxy-5-methylcyclohex-2-en-1-one
SMILESCC1(O)CC=CC(=O)C1
InChIInChI=1S/C7H10O2/c1-7(9)4-2-3-6(8)5-7/h2-3,9H,4-5H2,1H3
InChIKeyNLXZONNNMGXZFM-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-methylcyclohex-2-en-1-one?
The IUPAC name of 5-hydroxy-5-methylcyclohex-2-en-1-one (CID 89287800) is 5-hydroxy-5-methylcyclohex-2-en-1-one.
What is the SMILES notation for 5-hydroxy-5-methylcyclohex-2-en-1-one?
The canonical SMILES for 5-hydroxy-5-methylcyclohex-2-en-1-one is CC1(O)CC=CC(=O)C1.
What is the InChIKey of 5-hydroxy-5-methylcyclohex-2-en-1-one?
The InChIKey is NLXZONNNMGXZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-7(9)4-2-3-6(8)5-7/h2-3,9H,4-5H2,1H3.
What are the key properties of 5-hydroxy-5-methylcyclohex-2-en-1-one?
5-hydroxy-5-methylcyclohex-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-methylcyclohex-2-en-1-one is sourced from PubChem (CID 89287800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).