4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one

C8H14O3 — CID 20652083

IUPAC4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one
SMILESCC1OC(=O)CC1C(C)(C)O
InChIInChI=1S/C8H14O3/c1-5-6(8(2,3)10)4-7(9)11-5/h5-6,10H,4H2,1-3H3
InChIKeyRNANQJVBCQBDDC-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.71
Rot. Bonds1

About 4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one

4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one (PubChem CID 20652083) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one
PubChem CID20652083
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one
SMILESCC1OC(=O)CC1C(C)(C)O
InChIInChI=1S/C8H14O3/c1-5-6(8(2,3)10)4-7(9)11-5/h5-6,10H,4H2,1-3H3
InChIKeyRNANQJVBCQBDDC-UHFFFAOYSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-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

(4S,5S)-4-amino-5-methyloxolan-2-one
CID 102354103
(4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one
CID 102211064
(4S,5S)-4-benzoyl-5-methyloxolan-2-one
CID 99865015
(1S,5R,6S)-6-(2-hydroxypropan-2-yl)-1-methyl-2-oxabicyclo[3.3.1]nonan-3-one
CID 805050
5-bromo-4,6-dimethyloxan-2-one
CID 130020674
ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate
CID 101339914
(4R,5S,6R)-4-hydroxy-5-methyl-6-propan-2-yloxan-2-one
CID 11105821
5-hydroxy-4-methoxy-6-methyloxan-2-one
CID 18534399
(4R,7Z,9R,10S,13Z,15R,16R)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
CID 163041350
(4R,7E,9S,10R,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
CID 163041353
5-methyl-4-(silylmethyl)oxolan-2-one
CID 174039472
(5S)-5-(2-hydroxypropan-2-yl)oxolan-2-one
CID 12872230

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one (CID 20652083) is 4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one is CC1OC(=O)CC1C(C)(C)O.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one?
The InChIKey is RNANQJVBCQBDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-5-6(8(2,3)10)4-7(9)11-5/h5-6,10H,4H2,1-3H3.
What are the key properties of 4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one?
4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one is sourced from PubChem (CID 20652083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).