2-(ethenoxymethyl)-2-methylthiolane

C8H14OS — CID 176605177

IUPAC2-(ethenoxymethyl)-2-methylthiolane
SMILESC=COCC1(C)CCCS1
InChIInChI=1S/C8H14OS/c1-3-9-7-8(2)5-4-6-10-8/h3H,1,4-7H2,2H3
InChIKeyYCXDMQUEOFMLIR-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.43
Rot. Bonds3

About 2-(ethenoxymethyl)-2-methylthiolane

2-(ethenoxymethyl)-2-methylthiolane (PubChem CID 176605177) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-methylthiolane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-methylthiolane
PubChem CID176605177
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-(ethenoxymethyl)-2-methylthiolane
SMILESC=COCC1(C)CCCS1
InChIInChI=1S/C8H14OS/c1-3-9-7-8(2)5-4-6-10-8/h3H,1,4-7H2,2H3
InChIKeyYCXDMQUEOFMLIR-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Ethenoxymethyl)thiane
CID 176602945
2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane
CID 176603272
3-(Ethenoxymethyl)-3-methylthiolane
CID 176603517
2-(Ethenoxymethyl)-2-ethylthiolane
CID 176603785
2-(Ethenoxymethyl)-2-methylthiolane 1,1-dioxide
CID 176603812
2-(Ethenoxymethyl)thiolane
CID 176603954
3-(2-Ethenoxyethyl)thiolane
CID 176604092
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiolane
CID 176604158
2-(3-Ethenoxypropyl)-2-ethylthiolane
CID 176604161
3-(2-Ethenoxyethyl)-3-methylthiolane
CID 176604336
3-(1-Ethenoxyethyl)thiolane
CID 176604613

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-methylthiolane?
The IUPAC name of 2-(ethenoxymethyl)-2-methylthiolane (CID 176605177) is 2-(ethenoxymethyl)-2-methylthiolane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-methylthiolane?
The canonical SMILES for 2-(ethenoxymethyl)-2-methylthiolane is C=COCC1(C)CCCS1.
What is the InChIKey of 2-(ethenoxymethyl)-2-methylthiolane?
The InChIKey is YCXDMQUEOFMLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-3-9-7-8(2)5-4-6-10-8/h3H,1,4-7H2,2H3.
What are the key properties of 2-(ethenoxymethyl)-2-methylthiolane?
2-(ethenoxymethyl)-2-methylthiolane has a molecular weight of 158.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-methylthiolane is sourced from PubChem (CID 176605177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).