(3S,4S)-4-hydroxy-3-methyloxolan-2-one

C5H8O3 — CID 11251991

IUPAC(3S,4S)-4-hydroxy-3-methyloxolan-2-one
SMILESC[C@@H]1C(=O)OC[C@H]1O
InChIInChI=1S/C5H8O3/c1-3-4(6)2-8-5(3)7/h3-4,6H,2H2,1H3/t3-,4+/m0/s1
InChIKeyWMWULFWRZYXSIW-IUYQGCFVSA-N
MW116.12 g/mol
LogP-0.46
Rot. Bonds

About (3S,4S)-4-hydroxy-3-methyloxolan-2-one

(3S,4S)-4-hydroxy-3-methyloxolan-2-one (PubChem CID 11251991) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (3S,4S)-4-hydroxy-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,4S)-4-hydroxy-3-methyloxolan-2-one
PubChem CID11251991
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(3S,4S)-4-hydroxy-3-methyloxolan-2-one
SMILESC[C@@H]1C(=O)OC[C@H]1O
InChIInChI=1S/C5H8O3/c1-3-4(6)2-8-5(3)7/h3-4,6H,2H2,1H3/t3-,4+/m0/s1
InChIKeyWMWULFWRZYXSIW-IUYQGCFVSA-N
XLogP-0.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

D-Pantolactone
CID 439368
(+-)-Pantolactone
CID 989
3,4-Dihydroxybutanoic acid gamma-lactone
CID 95652
3-Hydroxybutyrolactone, (3S)-
CID 7269389
Ethyl 3-hydroxy-2-methylbutyrate
CID 656467
3-Hydroxybutyrolactone, (3R)-
CID 7060520
(+)-Pantolactone
CID 736053
3,4-Dihydroxy-3-methyloxolan-2-one
CID 11469098
(4R)-4-hydroxy-5,5-dimethyloxolan-2-one
CID 15565117
ethyl-(2R)-methyl-(3S)-hydroxybutanoate
CID 642623
(3R,4R)-3,4-Dihydroxy-3-methyloxolan-2-one
CID 11126294
D-Apionolactone
CID 124080856

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-hydroxy-3-methyloxolan-2-one?
The IUPAC name of (3S,4S)-4-hydroxy-3-methyloxolan-2-one (CID 11251991) is (3S,4S)-4-hydroxy-3-methyloxolan-2-one.
What is the SMILES notation for (3S,4S)-4-hydroxy-3-methyloxolan-2-one?
The canonical SMILES for (3S,4S)-4-hydroxy-3-methyloxolan-2-one is C[C@@H]1C(=O)OC[C@H]1O.
What is the InChIKey of (3S,4S)-4-hydroxy-3-methyloxolan-2-one?
The InChIKey is WMWULFWRZYXSIW-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-4(6)2-8-5(3)7/h3-4,6H,2H2,1H3/t3-,4+/m0/s1.
What are the key properties of (3S,4S)-4-hydroxy-3-methyloxolan-2-one?
(3S,4S)-4-hydroxy-3-methyloxolan-2-one has a molecular weight of 116.12 g/mol, XLogP of -0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-hydroxy-3-methyloxolan-2-one is sourced from PubChem (CID 11251991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).