2-(2-ethenoxyethyl)thiolane

C8H14OS — CID 176604303

IUPAC2-(2-ethenoxyethyl)thiolane
SMILESC=COCCC1CCCS1
InChIInChI=1S/C8H14OS/c1-2-9-6-5-8-4-3-7-10-8/h2,8H,1,3-7H2
InChIKeyMNTUBQVGMBBRLT-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.43
Rot. Bonds4

About 2-(2-ethenoxyethyl)thiolane

2-(2-ethenoxyethyl)thiolane (PubChem CID 176604303) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-(2-ethenoxyethyl)thiolane.

Molecular Properties

Compound Name2-(2-ethenoxyethyl)thiolane
PubChem CID176604303
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-(2-ethenoxyethyl)thiolane
SMILESC=COCCC1CCCS1
InChIInChI=1S/C8H14OS/c1-2-9-6-5-8-4-3-7-10-8/h2,8H,1,3-7H2
InChIKeyMNTUBQVGMBBRLT-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
2-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603408
2-(2-Ethenoxyethyl)thiolane 1,1-dioxide
CID 176603874
2-(3-Ethenoxypropyl)thiolane
CID 176603903
2-(Ethenoxymethyl)thiolane
CID 176603954
2-(2-Ethenoxyethyl)thiolane 1-oxide
CID 176604357
2-(1-Ethenoxyethyl)thiolane
CID 176604798
3-(3-Ethenoxypropyl)thiolane
CID 176604895
2-(Ethenoxymethyl)thiane
CID 176604896

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethyl)thiolane?
The IUPAC name of 2-(2-ethenoxyethyl)thiolane (CID 176604303) is 2-(2-ethenoxyethyl)thiolane.
What is the SMILES notation for 2-(2-ethenoxyethyl)thiolane?
The canonical SMILES for 2-(2-ethenoxyethyl)thiolane is C=COCCC1CCCS1.
What is the InChIKey of 2-(2-ethenoxyethyl)thiolane?
The InChIKey is MNTUBQVGMBBRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-9-6-5-8-4-3-7-10-8/h2,8H,1,3-7H2.
What are the key properties of 2-(2-ethenoxyethyl)thiolane?
2-(2-ethenoxyethyl)thiolane has a molecular weight of 158.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethyl)thiolane is sourced from PubChem (CID 176604303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).