(4S,5R)-4-hydroxy-5-methyloxolan-2-one

C5H8O3 — CID 10986192

IUPAC(4S,5R)-4-hydroxy-5-methyloxolan-2-one
SMILESC[C@H]1OC(=O)C[C@@H]1O
InChIInChI=1S/C5H8O3/c1-3-4(6)2-5(7)8-3/h3-4,6H,2H2,1H3/t3-,4+/m1/s1
InChIKeyBYSKAPIRGIONBO-DMTCNVIQSA-N
MW116.12 g/mol
LogP-0.32
Rot. Bonds

About (4S,5R)-4-hydroxy-5-methyloxolan-2-one

(4S,5R)-4-hydroxy-5-methyloxolan-2-one (PubChem CID 10986192) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (4S,5R)-4-hydroxy-5-methyloxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-hydroxy-5-methyloxolan-2-one
PubChem CID10986192
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(4S,5R)-4-hydroxy-5-methyloxolan-2-one
SMILESC[C@H]1OC(=O)C[C@@H]1O
InChIInChI=1S/C5H8O3/c1-3-4(6)2-5(7)8-3/h3-4,6H,2H2,1H3/t3-,4+/m1/s1
InChIKeyBYSKAPIRGIONBO-DMTCNVIQSA-N
XLogP-0.32
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 ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-hydroxy-5-methyloxolan-2-one?
The IUPAC name of (4S,5R)-4-hydroxy-5-methyloxolan-2-one (CID 10986192) is (4S,5R)-4-hydroxy-5-methyloxolan-2-one.
What is the SMILES notation for (4S,5R)-4-hydroxy-5-methyloxolan-2-one?
The canonical SMILES for (4S,5R)-4-hydroxy-5-methyloxolan-2-one is C[C@H]1OC(=O)C[C@@H]1O.
What is the InChIKey of (4S,5R)-4-hydroxy-5-methyloxolan-2-one?
The InChIKey is BYSKAPIRGIONBO-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-4(6)2-5(7)8-3/h3-4,6H,2H2,1H3/t3-,4+/m1/s1.
What are the key properties of (4S,5R)-4-hydroxy-5-methyloxolan-2-one?
(4S,5R)-4-hydroxy-5-methyloxolan-2-one has a molecular weight of 116.12 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-hydroxy-5-methyloxolan-2-one is sourced from PubChem (CID 10986192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).