(4R)-4-hydroxy-4-methylcyclohex-2-en-1-one

C7H10O2 — CID 11126263

IUPAC(4R)-4-hydroxy-4-methylcyclohex-2-en-1-one
SMILESC[C@]1(O)C=CC(=O)CC1
InChIInChI=1S/C7H10O2/c1-7(9)4-2-6(8)3-5-7/h2,4,9H,3,5H2,1H3/t7-/m0/s1
InChIKeyYYSUJSRMFRKVGC-ZETCQYMHSA-N
MW126.15 g/mol
LogP0.66
Rot. Bonds

About (4R)-4-hydroxy-4-methylcyclohex-2-en-1-one

(4R)-4-hydroxy-4-methylcyclohex-2-en-1-one (PubChem CID 11126263) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (4R)-4-hydroxy-4-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-4-methylcyclohex-2-en-1-one
PubChem CID11126263
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(4R)-4-hydroxy-4-methylcyclohex-2-en-1-one
SMILESC[C@]1(O)C=CC(=O)CC1
InChIInChI=1S/C7H10O2/c1-7(9)4-2-6(8)3-5-7/h2,4,9H,3,5H2,1H3/t7-/m0/s1
InChIKeyYYSUJSRMFRKVGC-ZETCQYMHSA-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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Related Compounds

4-Hydroxy-4-methylcyclohex-2-en-1-one
CID 155465
Ampelomin A
CID 25243398
4-Hydroxy-4-(2-oxopropyl)cyclohexa-2,5-dien-1-one
CID 130032021
(4S)-4-hydroxy-4,6,6-trimethylcyclohex-2-en-1-one
CID 154496025
4-Dihydroxy-5-cyclohexenone
CID 54077977
5-Hydroxy-5-(trifluoromethyl)cyclohex-3-ene-1,2-dione
CID 53857888
4-Hydroxy-crypton
CID 85807708
4-Hydroxy-3,4-dimethylcyclohex-2-en-1-one
CID 11018952
4-Hydroxy-2,4-dimethylcyclohex-2-en-1-one
CID 15422149
4-Hydroperoxy-4-methylcyclohex-2-en-1-one
CID 11665428
(4S,5R)-4-hydroxy-5-methylcyclohex-2-en-1-one
CID 11693909
(4S,6S)-4-hydroxy-6-methylcyclohex-2-en-1-one
CID 25053498

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-4-methylcyclohex-2-en-1-one?
The IUPAC name of (4R)-4-hydroxy-4-methylcyclohex-2-en-1-one (CID 11126263) is (4R)-4-hydroxy-4-methylcyclohex-2-en-1-one.
What is the SMILES notation for (4R)-4-hydroxy-4-methylcyclohex-2-en-1-one?
The canonical SMILES for (4R)-4-hydroxy-4-methylcyclohex-2-en-1-one is C[C@]1(O)C=CC(=O)CC1.
What is the InChIKey of (4R)-4-hydroxy-4-methylcyclohex-2-en-1-one?
The InChIKey is YYSUJSRMFRKVGC-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10O2/c1-7(9)4-2-6(8)3-5-7/h2,4,9H,3,5H2,1H3/t7-/m0/s1.
What are the key properties of (4R)-4-hydroxy-4-methylcyclohex-2-en-1-one?
(4R)-4-hydroxy-4-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 (4R)-4-hydroxy-4-methylcyclohex-2-en-1-one is sourced from PubChem (CID 11126263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).