3-(ethenoxymethyl)-3-methylthiolane

C8H14OS — CID 176603517

IUPAC3-(ethenoxymethyl)-3-methylthiolane
SMILESC=COCC1(C)CCSC1
InChIInChI=1S/C8H14OS/c1-3-9-6-8(2)4-5-10-7-8/h3H,1,4-7H2,2H3
InChIKeyZTYFFNKRDNEOPP-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.29
Rot. Bonds3

About 3-(ethenoxymethyl)-3-methylthiolane

3-(ethenoxymethyl)-3-methylthiolane (PubChem CID 176603517) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-(ethenoxymethyl)-3-methylthiolane.

Molecular Properties

Compound Name3-(ethenoxymethyl)-3-methylthiolane
PubChem CID176603517
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name3-(ethenoxymethyl)-3-methylthiolane
SMILESC=COCC1(C)CCSC1
InChIInChI=1S/C8H14OS/c1-3-9-6-8(2)4-5-10-7-8/h3H,1,4-7H2,2H3
InChIKeyZTYFFNKRDNEOPP-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-(ethenoxymethyl)-3-methylthiolane 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

3-Methyl-3-(2-methylprop-1-enoxymethyl)thiolane
CID 176603213
3-(Ethenoxymethyl)-3-methylthiolane 1,1-dioxide
CID 176603416
3-(Ethenoxymethyl)-3-methylthiolane 1-oxide
CID 176603677
3-(Ethenoxymethyl)thiolane
CID 176603936
3-(Ethenoxymethyl)-3-ethylthietane
CID 176604120
3-(2-Ethenoxyethyl)-3-methylthiolane
CID 176604336
3-(2-Ethenoxyethyl)-3-methylthietane
CID 176604958
3-(Ethenoxymethyl)-3-ethylthiolane
CID 176605010
2-(Ethenoxymethyl)-2-methylthiolane
CID 176605177
3-methyl-3-[[(E)-prop-1-enoxy]methyl]thiolane
CID 176605364

Frequently Asked Questions

What is the IUPAC name of 3-(ethenoxymethyl)-3-methylthiolane?
The IUPAC name of 3-(ethenoxymethyl)-3-methylthiolane (CID 176603517) is 3-(ethenoxymethyl)-3-methylthiolane.
What is the SMILES notation for 3-(ethenoxymethyl)-3-methylthiolane?
The canonical SMILES for 3-(ethenoxymethyl)-3-methylthiolane is C=COCC1(C)CCSC1.
What is the InChIKey of 3-(ethenoxymethyl)-3-methylthiolane?
The InChIKey is ZTYFFNKRDNEOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-3-9-6-8(2)4-5-10-7-8/h3H,1,4-7H2,2H3.
What are the key properties of 3-(ethenoxymethyl)-3-methylthiolane?
3-(ethenoxymethyl)-3-methylthiolane has a molecular weight of 158.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)-3-methylthiolane is sourced from PubChem (CID 176603517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).