4,5-dimethyl-1,3-oxathiolane

C5H10OS — CID 54547512

IUPAC4,5-dimethyl-1,3-oxathiolane
SMILESCC1OCSC1C
InChIInChI=1S/C5H10OS/c1-4-5(2)7-3-6-4/h4-5H,3H2,1-2H3
InChIKeyPPEYDVIBWXFEMN-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.48
Rot. Bonds

About 4,5-dimethyl-1,3-oxathiolane

4,5-dimethyl-1,3-oxathiolane (PubChem CID 54547512) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-oxathiolane.

Molecular Properties

Compound Name4,5-dimethyl-1,3-oxathiolane
PubChem CID54547512
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name4,5-dimethyl-1,3-oxathiolane
SMILESCC1OCSC1C
InChIInChI=1S/C5H10OS/c1-4-5(2)7-3-6-4/h4-5H,3H2,1-2H3
InChIKeyPPEYDVIBWXFEMN-UHFFFAOYSA-N
XLogP1.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-oxathiolane?
The IUPAC name of 4,5-dimethyl-1,3-oxathiolane (CID 54547512) is 4,5-dimethyl-1,3-oxathiolane.
What is the SMILES notation for 4,5-dimethyl-1,3-oxathiolane?
The canonical SMILES for 4,5-dimethyl-1,3-oxathiolane is CC1OCSC1C.
What is the InChIKey of 4,5-dimethyl-1,3-oxathiolane?
The InChIKey is PPEYDVIBWXFEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-4-5(2)7-3-6-4/h4-5H,3H2,1-2H3.
What are the key properties of 4,5-dimethyl-1,3-oxathiolane?
4,5-dimethyl-1,3-oxathiolane has a molecular weight of 118.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-oxathiolane is sourced from PubChem (CID 54547512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).