3-methyl-4-(2-methylsulfanylethyl)oxolane

C8H16OS — CID 123597030

IUPAC3-methyl-4-(2-methylsulfanylethyl)oxolane
SMILESCSCCC1COCC1C
InChIInChI=1S/C8H16OS/c1-7-5-9-6-8(7)3-4-10-2/h7-8H,3-6H2,1-2H3
InChIKeyPJAXNCHEVMFJCM-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.02
Rot. Bonds3

About 3-methyl-4-(2-methylsulfanylethyl)oxolane

3-methyl-4-(2-methylsulfanylethyl)oxolane (PubChem CID 123597030) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 3-methyl-4-(2-methylsulfanylethyl)oxolane.

Molecular Properties

Compound Name3-methyl-4-(2-methylsulfanylethyl)oxolane
PubChem CID123597030
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name3-methyl-4-(2-methylsulfanylethyl)oxolane
SMILESCSCCC1COCC1C
InChIInChI=1S/C8H16OS/c1-7-5-9-6-8(7)3-4-10-2/h7-8H,3-6H2,1-2H3
InChIKeyPJAXNCHEVMFJCM-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-(2-methylsulfanylethyl)oxolane 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 3-methyl-4-(2-methylsulfanylethyl)oxolane?
The IUPAC name of 3-methyl-4-(2-methylsulfanylethyl)oxolane (CID 123597030) is 3-methyl-4-(2-methylsulfanylethyl)oxolane.
What is the SMILES notation for 3-methyl-4-(2-methylsulfanylethyl)oxolane?
The canonical SMILES for 3-methyl-4-(2-methylsulfanylethyl)oxolane is CSCCC1COCC1C.
What is the InChIKey of 3-methyl-4-(2-methylsulfanylethyl)oxolane?
The InChIKey is PJAXNCHEVMFJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7-5-9-6-8(7)3-4-10-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-methyl-4-(2-methylsulfanylethyl)oxolane?
3-methyl-4-(2-methylsulfanylethyl)oxolane has a molecular weight of 160.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylsulfanylethyl)oxolane is sourced from PubChem (CID 123597030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).