(4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one

C7H10O3 — CID 130643878

IUPAC(4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one
SMILESC[C@]1(O)C=C(CO)C(=O)C1
InChIInChI=1S/C7H10O3/c1-7(10)2-5(4-8)6(9)3-7/h2,8,10H,3-4H2,1H3/t7-/m0/s1
InChIKeyPXYQBOLVWOVXSF-ZETCQYMHSA-N
MW142.15 g/mol
LogP-0.37
Rot. Bonds1

About (4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one

(4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one (PubChem CID 130643878) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one
PubChem CID130643878
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one
SMILESC[C@]1(O)C=C(CO)C(=O)C1
InChIInChI=1S/C7H10O3/c1-7(10)2-5(4-8)6(9)3-7/h2,8,10H,3-4H2,1H3/t7-/m0/s1
InChIKeyPXYQBOLVWOVXSF-ZETCQYMHSA-N
XLogP-0.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-iodo-4,4-dimethylcyclopent-2-en-1-one
CID 22002644
(4S)-4-hydroxy-3-(hydroxymethyl)-2,4-dimethylcyclopent-2-en-1-one
CID 130875375
5-hydroxy-2,5-bis(2-hydroxyethyl)cyclohex-2-ene-1,4-dione
CID 174222335
2-(4,4-dimethyl-6-oxocyclohexen-1-yl)acetic acid
CID 13490446
(4aS,5R,8R,8aR)-8-hydroxy-3-(hydroxymethyl)-8-methyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
CID 102401772
trans-(2S,5S)-2,5-dihydroxy-2,5-dimethylcyclohexane-1,4-dione
CID 97161679
(4R)-4-[(1S,4S)-4-hydroxy-1,4-dimethylcyclohex-2-en-1-yl]-3-(hydroxymethyl)-4-methylcyclopent-2-en-1-one
CID 14408097
(2E)-3-hydroxy-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-2-en-1-ylidene)-5,5-dimethylcyclohex-3-en-1-one
CID 138961452
(3S)-4-(3,3-dimethyl-5-oxocyclopenten-1-yl)-3-methylbutanal
CID 10607862
(7R,8R,8aS)-7-hydroxy-4-(hydroxymethyl)-2,2,8-trimethyl-1,3,6,7,8,8a-hexahydroazulen-5-one
CID 73212332
2,6-bis(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
CID 14544995
3-(15-hydroxypentadecyl)-2,4,4-trimethylcyclopent-2-en-1-one
CID 162724302

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one?
The IUPAC name of (4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one (CID 130643878) is (4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one is C[C@]1(O)C=C(CO)C(=O)C1.
What is the InChIKey of (4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one?
The InChIKey is PXYQBOLVWOVXSF-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10O3/c1-7(10)2-5(4-8)6(9)3-7/h2,8,10H,3-4H2,1H3/t7-/m0/s1.
What are the key properties of (4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one?
(4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one has a molecular weight of 142.15 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-2-(hydroxymethyl)-4-methylcyclopent-2-en-1-one is sourced from PubChem (CID 130643878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).