2-ethyl-5-(methoxymethyl)thiolane

C8H16OS — CID 123301145

IUPAC2-ethyl-5-(methoxymethyl)thiolane
SMILESCCC1CCC(COC)S1
InChIInChI=1S/C8H16OS/c1-3-7-4-5-8(10-7)6-9-2/h7-8H,3-6H2,1-2H3
InChIKeyWLFKJVRJRAIPCV-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.31
Rot. Bonds3

About 2-ethyl-5-(methoxymethyl)thiolane

2-ethyl-5-(methoxymethyl)thiolane (PubChem CID 123301145) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-ethyl-5-(methoxymethyl)thiolane.

Molecular Properties

Compound Name2-ethyl-5-(methoxymethyl)thiolane
PubChem CID123301145
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-ethyl-5-(methoxymethyl)thiolane
SMILESCCC1CCC(COC)S1
InChIInChI=1S/C8H16OS/c1-3-7-4-5-8(10-7)6-9-2/h7-8H,3-6H2,1-2H3
InChIKeyWLFKJVRJRAIPCV-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-5-(methoxymethyl)thiolane 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

1-Oxa-4-thiaspiro(4.6)undecane
CID 9098
1,3-Oxathiolane, 2-pentyl-
CID 11147880
5-Decyl-1,3-oxathiolane-2-thione
CID 20400566
1-Oxa-4-thiaspiro[4.11]hexadecane
CID 11345528
2-Methylsulfanyl-oxacyclotetradecane
CID 15424833
1-Ethylsulfanyl-1-methoxydecane
CID 23651751
1-Tert-butylsulfanyl-1-methoxydecane
CID 23651752
2-Butyl-4-methyl-1,3-oxathiolane
CID 129801113
1-Methoxy-1-propylsulfanyldecane
CID 134999498
Oxa-14-thiacyclohexadecane
CID 164185884
2-Butyl-2-methyl-1,3-oxathiolane
CID 13004868
5-Hexyl-1,3-oxathiolane-2-thione
CID 10081655

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(methoxymethyl)thiolane?
The IUPAC name of 2-ethyl-5-(methoxymethyl)thiolane (CID 123301145) is 2-ethyl-5-(methoxymethyl)thiolane.
What is the SMILES notation for 2-ethyl-5-(methoxymethyl)thiolane?
The canonical SMILES for 2-ethyl-5-(methoxymethyl)thiolane is CCC1CCC(COC)S1.
What is the InChIKey of 2-ethyl-5-(methoxymethyl)thiolane?
The InChIKey is WLFKJVRJRAIPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-7-4-5-8(10-7)6-9-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-5-(methoxymethyl)thiolane?
2-ethyl-5-(methoxymethyl)thiolane has a molecular weight of 160.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(methoxymethyl)thiolane is sourced from PubChem (CID 123301145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).