(2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one

C15H24O3 — CID 139255201

IUPAC(2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one
SMILESCC(C)C1=CC(=O)[C@](C)([C@@H]2CC[C@@H](C)[C@H]2CO)O1
InChIInChI=1S/C15H24O3/c1-9(2)13-7-14(17)15(4,18-13)12-6-5-10(3)11(12)8-16/h7,9-12,16H,5-6,8H2,1-4H3/t10-,11-,12-,15+/m1/s1
InChIKeyYGBQKEFSZTUYNX-BLTAXRJOSA-N
MW252.35 g/mol
LogP2.54
Rot. Bonds3

About (2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one

(2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one (PubChem CID 139255201) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one.

Molecular Properties

Compound Name(2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one
PubChem CID139255201
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one
SMILESCC(C)C1=CC(=O)[C@](C)([C@@H]2CC[C@@H](C)[C@H]2CO)O1
InChIInChI=1S/C15H24O3/c1-9(2)13-7-14(17)15(4,18-13)12-6-5-10(3)11(12)8-16/h7,9-12,16H,5-6,8H2,1-4H3/t10-,11-,12-,15+/m1/s1
InChIKeyYGBQKEFSZTUYNX-BLTAXRJOSA-N
XLogP2.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde
CID 75994700
(1R,2R,5R)-2-methyl-5-[(2S)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde
CID 53259520
(1R,2R,5R)-2-methyl-5-[(2R)-2-methyl-3-oxo-5-propan-2-ylfuran-2-yl]cyclopentane-1-carbaldehyde
CID 139255200
(2S)-2-decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one
CID 163026986
2-Methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde
CID 129213472
1-(4,6-Diethyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl)-2-hydroxyethanone
CID 145756227
(3aS,6S,6aR)-6a-hydroxy-3a,6-dimethyl-2-propan-2-yloxy-5,6-dihydro-4H-pentalen-1-one
CID 10609190
(3aR,6R,6aS)-6a-hydroxy-3a,6-dimethyl-2-propan-2-yloxy-5,6-dihydro-4H-pentalen-1-one
CID 101688767
(2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one
CID 102231797
(2R)-2-[(3R)-1-hydroxyoctan-3-yl]-2,5-dimethylfuran-3-one
CID 102231798
2,3-Dihydrofuran-5-yl-(3-ethylcyclopentyl)methanone
CID 102650982
2-Decyl-5-(2-hydroxyethyl)-2-methylfuran-3-one
CID 163026985

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one?
The IUPAC name of (2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one (CID 139255201) is (2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one.
What is the SMILES notation for (2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one?
The canonical SMILES for (2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one is CC(C)C1=CC(=O)[C@](C)([C@@H]2CC[C@@H](C)[C@H]2CO)O1.
What is the InChIKey of (2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one?
The InChIKey is YGBQKEFSZTUYNX-BLTAXRJOSA-N. The full InChI is InChI=1S/C15H24O3/c1-9(2)13-7-14(17)15(4,18-13)12-6-5-10(3)11(12)8-16/h7,9-12,16H,5-6,8H2,1-4H3/t10-,11-,12-,15+/m1/s1.
What are the key properties of (2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one?
(2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one has a molecular weight of 252.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R,2R,3R)-2-(hydroxymethyl)-3-methylcyclopentyl]-2-methyl-5-propan-2-ylfuran-3-one is sourced from PubChem (CID 139255201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).