5-ethyl-1,3-oxathiane

C6H12OS — CID 19349488

IUPAC5-ethyl-1,3-oxathiane
SMILESCCC1COCSC1
InChIInChI=1S/C6H12OS/c1-2-6-3-7-5-8-4-6/h6H,2-5H2,1H3
InChIKeyLKBYOROCOWYUKP-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.73
Rot. Bonds1

About 5-ethyl-1,3-oxathiane

5-ethyl-1,3-oxathiane (PubChem CID 19349488) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 5-ethyl-1,3-oxathiane.

Molecular Properties

Compound Name5-ethyl-1,3-oxathiane
PubChem CID19349488
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name5-ethyl-1,3-oxathiane
SMILESCCC1COCSC1
InChIInChI=1S/C6H12OS/c1-2-6-3-7-5-8-4-6/h6H,2-5H2,1H3
InChIKeyLKBYOROCOWYUKP-UHFFFAOYSA-N
XLogP1.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-1,3-oxathiane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,4-Trimethyl-1,3-oxathiane
CID 18539813
4,4-Dimethyl-1,3-oxathiane
CID 18539818
5-Methyl-1,3-oxathiane
CID 544309
5-Isopropyl-1,3-oxathiane
CID 12382465
5-t-Butyl-1,3-oxathiane
CID 552726
4-Methyl-1,3-oxathiane
CID 54139805
5,5-Dimethyl-1,3-oxathiane
CID 67189713
1,3-Oxathiane, 2,5-dimethyl
CID 529078
2,5-Diisopropyl-1,3-oxathiane
CID 557698
1,3-Oxathiane, 2-(1-methylethyl)-
CID 568471
1,3-Oxathiane, 5-isopropyl-2-methyl-
CID 557922
1,3-Oxathiane, 5,6-dimethyl-
CID 583265

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-oxathiane?
The IUPAC name of 5-ethyl-1,3-oxathiane (CID 19349488) is 5-ethyl-1,3-oxathiane.
What is the SMILES notation for 5-ethyl-1,3-oxathiane?
The canonical SMILES for 5-ethyl-1,3-oxathiane is CCC1COCSC1.
What is the InChIKey of 5-ethyl-1,3-oxathiane?
The InChIKey is LKBYOROCOWYUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-2-6-3-7-5-8-4-6/h6H,2-5H2,1H3.
What are the key properties of 5-ethyl-1,3-oxathiane?
5-ethyl-1,3-oxathiane has a molecular weight of 132.23 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-oxathiane is sourced from PubChem (CID 19349488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).