[(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate

C9H16O3S — CID 58516702

IUPAC[(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate
SMILESCCCC(=O)OC[C@@H]1OC(C)CS1
InChIInChI=1S/C9H16O3S/c1-3-4-8(10)11-5-9-12-7(2)6-13-9/h7,9H,3-6H2,1-2H3/t7?,9-/m1/s1
InChIKeyKFKPOOLHDXUHEV-NHSZFOGYSA-N
MW204.29 g/mol
LogP1.81
Rot. Bonds4

About [(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate

[(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate (PubChem CID 58516702) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is [(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate.

Molecular Properties

Compound Name[(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate
PubChem CID58516702
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name[(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate
SMILESCCCC(=O)OC[C@@H]1OC(C)CS1
InChIInChI=1S/C9H16O3S/c1-3-4-8(10)11-5-9-12-7(2)6-13-9/h7,9H,3-6H2,1-2H3/t7?,9-/m1/s1
InChIKeyKFKPOOLHDXUHEV-NHSZFOGYSA-N
XLogP1.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate 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 [(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate?
The IUPAC name of [(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate (CID 58516702) is [(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate.
What is the SMILES notation for [(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate?
The canonical SMILES for [(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate is CCCC(=O)OC[C@@H]1OC(C)CS1.
What is the InChIKey of [(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate?
The InChIKey is KFKPOOLHDXUHEV-NHSZFOGYSA-N. The full InChI is InChI=1S/C9H16O3S/c1-3-4-8(10)11-5-9-12-7(2)6-13-9/h7,9H,3-6H2,1-2H3/t7?,9-/m1/s1.
What are the key properties of [(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate?
[(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate has a molecular weight of 204.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-methyl-1,3-oxathiolan-2-yl]methyl butanoate is sourced from PubChem (CID 58516702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).