2-(2-ethenoxyethyl)-2-methylthiolane

C9H16OS — CID 176603234

IUPAC2-(2-ethenoxyethyl)-2-methylthiolane
SMILESC=COCCC1(C)CCCS1
InChIInChI=1S/C9H16OS/c1-3-10-7-6-9(2)5-4-8-11-9/h3H,1,4-8H2,2H3
InChIKeyKRUTVOYORGAHLL-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.82
Rot. Bonds4

About 2-(2-ethenoxyethyl)-2-methylthiolane

2-(2-ethenoxyethyl)-2-methylthiolane (PubChem CID 176603234) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-(2-ethenoxyethyl)-2-methylthiolane.

Molecular Properties

Compound Name2-(2-ethenoxyethyl)-2-methylthiolane
PubChem CID176603234
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-(2-ethenoxyethyl)-2-methylthiolane
SMILESC=COCCC1(C)CCCS1
InChIInChI=1S/C9H16OS/c1-3-10-7-6-9(2)5-4-8-11-9/h3H,1,4-8H2,2H3
InChIKeyKRUTVOYORGAHLL-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-ethenoxyethyl)-2-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-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176602987
2-(3-Ethenoxypropyl)-2-ethylthiolane 1-oxide
CID 176603096
2-(Ethenoxymethyl)-2-ethylthiane
CID 176603135
2-(3-Ethenoxypropyl)-2-ethyl-1,4-dithiane
CID 176603224
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane
CID 176603250
3-(3-Ethenoxypropyl)thiolane 1-oxide
CID 176603290
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiolane
CID 176603475
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176603535
2-(Ethenoxymethyl)-2-ethylthiolane 1-oxide
CID 176603638
4-(3-Ethenoxypropyl)-4-ethylthiane
CID 176603754
2-(Ethenoxymethyl)-2-ethylthiolane
CID 176603785
2-(2-Ethenoxyethyl)-2-methylthiolane 1,1-dioxide
CID 176603800

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethyl)-2-methylthiolane?
The IUPAC name of 2-(2-ethenoxyethyl)-2-methylthiolane (CID 176603234) is 2-(2-ethenoxyethyl)-2-methylthiolane.
What is the SMILES notation for 2-(2-ethenoxyethyl)-2-methylthiolane?
The canonical SMILES for 2-(2-ethenoxyethyl)-2-methylthiolane is C=COCCC1(C)CCCS1.
What is the InChIKey of 2-(2-ethenoxyethyl)-2-methylthiolane?
The InChIKey is KRUTVOYORGAHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-3-10-7-6-9(2)5-4-8-11-9/h3H,1,4-8H2,2H3.
What are the key properties of 2-(2-ethenoxyethyl)-2-methylthiolane?
2-(2-ethenoxyethyl)-2-methylthiolane has a molecular weight of 172.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethyl)-2-methylthiolane is sourced from PubChem (CID 176603234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).