(4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-one

C7H10O2 — CID 11007904

IUPAC(4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-one
SMILESCC1(C)C(=O)C=C[C@H]1O
InChIInChI=1S/C7H10O2/c1-7(2)5(8)3-4-6(7)9/h3-5,8H,1-2H3/t5-/m1/s1
InChIKeyKXXNPFCWUOVVNF-RXMQYKEDSA-N
MW126.15 g/mol
LogP0.51
Rot. Bonds

About (4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-one

(4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-one (PubChem CID 11007904) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-one
PubChem CID11007904
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-one
SMILESCC1(C)C(=O)C=C[C@H]1O
InChIInChI=1S/C7H10O2/c1-7(2)5(8)3-4-6(7)9/h3-5,8H,1-2H3/t5-/m1/s1
InChIKeyKXXNPFCWUOVVNF-RXMQYKEDSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-one?
The IUPAC name of (4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-one (CID 11007904) is (4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-one is CC1(C)C(=O)C=C[C@H]1O.
What is the InChIKey of (4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-one?
The InChIKey is KXXNPFCWUOVVNF-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10O2/c1-7(2)5(8)3-4-6(7)9/h3-5,8H,1-2H3/t5-/m1/s1.
What are the key properties of (4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-one?
(4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 11007904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).