(3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one

C8H14O3 — CID 92979432

IUPAC(3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one
SMILESCC(C)[C@H]1OC(=O)[C@@H](O)[C@H]1C
InChIInChI=1S/C8H14O3/c1-4(2)7-5(3)6(9)8(10)11-7/h4-7,9H,1-3H3/t5-,6+,7-/m1/s1
InChIKeyPNUCQCDJZMDSBF-DSYKOEDSSA-N
MW158.20 g/mol
LogP0.56
Rot. Bonds1

About (3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one

(3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one (PubChem CID 92979432) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one
PubChem CID92979432
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one
SMILESCC(C)[C@H]1OC(=O)[C@@H](O)[C@H]1C
InChIInChI=1S/C8H14O3/c1-4(2)7-5(3)6(9)8(10)11-7/h4-7,9H,1-3H3/t5-,6+,7-/m1/s1
InChIKeyPNUCQCDJZMDSBF-DSYKOEDSSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-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

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one?
The IUPAC name of (3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one (CID 92979432) is (3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one.
What is the SMILES notation for (3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one?
The canonical SMILES for (3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one is CC(C)[C@H]1OC(=O)[C@@H](O)[C@H]1C.
What is the InChIKey of (3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one?
The InChIKey is PNUCQCDJZMDSBF-DSYKOEDSSA-N. The full InChI is InChI=1S/C8H14O3/c1-4(2)7-5(3)6(9)8(10)11-7/h4-7,9H,1-3H3/t5-,6+,7-/m1/s1.
What are the key properties of (3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one?
(3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one is sourced from PubChem (CID 92979432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).