4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one

C12H20O3 — CID 130673696

IUPAC4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one
SMILESCC1(C)OCC(C2CCCC2(C)O)C1=O
InChIInChI=1S/C12H20O3/c1-11(2)10(13)8(7-15-11)9-5-4-6-12(9,3)14/h8-9,14H,4-7H2,1-3H3
InChIKeyBVXSCNOOSRXROW-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.53
Rot. Bonds1

About 4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one

4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one (PubChem CID 130673696) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one.

Molecular Properties

Compound Name4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one
PubChem CID130673696
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one
SMILESCC1(C)OCC(C2CCCC2(C)O)C1=O
InChIInChI=1S/C12H20O3/c1-11(2)10(13)8(7-15-11)9-5-4-6-12(9,3)14/h8-9,14H,4-7H2,1-3H3
InChIKeyBVXSCNOOSRXROW-UHFFFAOYSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one
CID 130927858
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
5-hydroxy-5-methyl-3,4,4a,6,7,7a-hexahydrocyclopenta[c]pyran-1-one
CID 22168792
4-amino-2,2-dimethyloxolan-3-one
CID 126990472
(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 67375196
(4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol
CID 130792375
(3aS,6aR)-3,3-dimethyl-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6-one
CID 71402225
(4aR,7R,7aR)-7-hydroxy-7-methyl-1,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-3-one
CID 10964936
3-hydroxy-3-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1-one
CID 123222610
4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one
CID 130691249
4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one
CID 131123212
(3aS,5R,8R,9aR)-5,8-dihydroxy-5,8-dimethyl-1-methylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
CID 22297379

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one?
The IUPAC name of 4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one (CID 130673696) is 4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one.
What is the SMILES notation for 4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one?
The canonical SMILES for 4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one is CC1(C)OCC(C2CCCC2(C)O)C1=O.
What is the InChIKey of 4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one?
The InChIKey is BVXSCNOOSRXROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-11(2)10(13)8(7-15-11)9-5-4-6-12(9,3)14/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one?
4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one has a molecular weight of 212.29 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one is sourced from PubChem (CID 130673696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).