(4R)-4-hydroxy-3,4-dimethylcyclopent-2-en-1-one

C7H10O2 — CID 101489156

IUPAC(4R)-4-hydroxy-3,4-dimethylcyclopent-2-en-1-one
SMILESCC1=CC(=O)C[C@@]1(C)O
InChIInChI=1S/C7H10O2/c1-5-3-6(8)4-7(5,2)9/h3,9H,4H2,1-2H3/t7-/m1/s1
InChIKeyJSYILFYTJXAQBP-SSDOTTSWSA-N
MW126.15 g/mol
LogP0.66
Rot. Bonds

About (4R)-4-hydroxy-3,4-dimethylcyclopent-2-en-1-one

(4R)-4-hydroxy-3,4-dimethylcyclopent-2-en-1-one (PubChem CID 101489156) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (4R)-4-hydroxy-3,4-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-3,4-dimethylcyclopent-2-en-1-one
PubChem CID101489156
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(4R)-4-hydroxy-3,4-dimethylcyclopent-2-en-1-one
SMILESCC1=CC(=O)C[C@@]1(C)O
InChIInChI=1S/C7H10O2/c1-5-3-6(8)4-7(5,2)9/h3,9H,4H2,1-2H3/t7-/m1/s1
InChIKeyJSYILFYTJXAQBP-SSDOTTSWSA-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

6-Hydroxy-2,6-dimethylocta-2,7-dien-4-one
CID 71379147
2-Cyclopenten-1-one, 4-hydroxy-3-methyl-
CID 10796718
4-Hydroxy-4-methylcyclopent-2-en-1-one
CID 10678204
(4R)-4-hydroxy-3-methylcyclopent-2-en-1-one
CID 642533
3-Chloro-4-ethyl-4-hydroxycyclopent-2-en-1-one
CID 15372161
5-Hydroxy-5-isopropenyl-2-methyl-2-cyclohexen-1-one
CID 24974693
(4R)-4-hydroxy-4-methylcyclopent-2-en-1-one
CID 643125
4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one
CID 21578064
(6S)-6-hydroxy-2,6-dimethylocta-2,7-dien-4-one
CID 163004746
4-Ethyl-4-hydroxycyclopent-2-en-1-one
CID 11815359
4-Hydroxy-4-methyl-5-(prop-2-en-1-yl)cyclopent-2-en-1-one
CID 12879872
4-Hydroxy-4-methyl-5-propylcyclopent-2-en-1-one
CID 13036789

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-3,4-dimethylcyclopent-2-en-1-one?
The IUPAC name of (4R)-4-hydroxy-3,4-dimethylcyclopent-2-en-1-one (CID 101489156) is (4R)-4-hydroxy-3,4-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-hydroxy-3,4-dimethylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-hydroxy-3,4-dimethylcyclopent-2-en-1-one is CC1=CC(=O)C[C@@]1(C)O.
What is the InChIKey of (4R)-4-hydroxy-3,4-dimethylcyclopent-2-en-1-one?
The InChIKey is JSYILFYTJXAQBP-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-6(8)4-7(5,2)9/h3,9H,4H2,1-2H3/t7-/m1/s1.
What are the key properties of (4R)-4-hydroxy-3,4-dimethylcyclopent-2-en-1-one?
(4R)-4-hydroxy-3,4-dimethylcyclopent-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-3,4-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 101489156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).