3-(1-ethenoxyethyl)thiolane

C8H14OS — CID 176604613

IUPAC3-(1-ethenoxyethyl)thiolane
SMILESC=COC(C)C1CCSC1
InChIInChI=1S/C8H14OS/c1-3-9-7(2)8-4-5-10-6-8/h3,7-8H,1,4-6H2,2H3
InChIKeySFHWTVNHPJNIEM-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.29
Rot. Bonds3

About 3-(1-ethenoxyethyl)thiolane

3-(1-ethenoxyethyl)thiolane (PubChem CID 176604613) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-(1-ethenoxyethyl)thiolane.

Molecular Properties

Compound Name3-(1-ethenoxyethyl)thiolane
PubChem CID176604613
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name3-(1-ethenoxyethyl)thiolane
SMILESC=COC(C)C1CCSC1
InChIInChI=1S/C8H14OS/c1-3-9-7(2)8-4-5-10-6-8/h3,7-8H,1,4-6H2,2H3
InChIKeySFHWTVNHPJNIEM-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'}

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Related Compounds

3-(1-Ethenoxyethyl)thiolane 1,1-dioxide
CID 176603456
3-[1-(2-Methylprop-1-enoxy)ethyl]thiolane
CID 176603869
3-(2-Ethenoxyethyl)thiolane
CID 176604092
3-[1-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176604101
4-(1-Ethenoxyethyl)thiane
CID 176604130
3-(1-Ethenoxyethyl)thiolane 1-oxide
CID 176604192
2-(1-Ethenoxyethyl)thiolane
CID 176604798
3-(Ethenoxymethyl)-3-ethylthiolane
CID 176605010
2-(Ethenoxymethyl)-2-methylthiolane
CID 176605177

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethenoxyethyl)thiolane?
The IUPAC name of 3-(1-ethenoxyethyl)thiolane (CID 176604613) is 3-(1-ethenoxyethyl)thiolane.
What is the SMILES notation for 3-(1-ethenoxyethyl)thiolane?
The canonical SMILES for 3-(1-ethenoxyethyl)thiolane is C=COC(C)C1CCSC1.
What is the InChIKey of 3-(1-ethenoxyethyl)thiolane?
The InChIKey is SFHWTVNHPJNIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-3-9-7(2)8-4-5-10-6-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 3-(1-ethenoxyethyl)thiolane?
3-(1-ethenoxyethyl)thiolane 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-(1-ethenoxyethyl)thiolane is sourced from PubChem (CID 176604613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).