3-(2-ethenoxyethyl)thiolane

C8H14OS — CID 176604092

IUPAC3-(2-ethenoxyethyl)thiolane
SMILESC=COCCC1CCSC1
InChIInChI=1S/C8H14OS/c1-2-9-5-3-8-4-6-10-7-8/h2,8H,1,3-7H2
InChIKeyCFCFWERCFRFZFU-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.29
Rot. Bonds4

About 3-(2-ethenoxyethyl)thiolane

3-(2-ethenoxyethyl)thiolane (PubChem CID 176604092) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-(2-ethenoxyethyl)thiolane.

Molecular Properties

Compound Name3-(2-ethenoxyethyl)thiolane
PubChem CID176604092
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name3-(2-ethenoxyethyl)thiolane
SMILESC=COCCC1CCSC1
InChIInChI=1S/C8H14OS/c1-2-9-5-3-8-4-6-10-7-8/h2,8H,1,3-7H2
InChIKeyCFCFWERCFRFZFU-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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

3-(Ethenoxymethyl)thiane
CID 176602945
4-(Ethenoxymethyl)thiane
CID 176603153
2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
3-(2-Ethenoxyethyl)thiolane 1-oxide
CID 176603611
3-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603696
2-(Ethenoxymethyl)-2-ethylthiolane
CID 176603785
3-(Ethenoxymethyl)thiolane
CID 176603936
2-(Ethenoxymethyl)thiolane
CID 176603954
3-(2-Ethenoxyethyl)-3-methylthiolane
CID 176604336
3-(1-Ethenoxyethyl)thiolane
CID 176604613
3-(3-Ethenoxypropyl)thiolane
CID 176604895
3-(Ethenoxymethyl)-3-ethylthiolane
CID 176605010

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenoxyethyl)thiolane?
The IUPAC name of 3-(2-ethenoxyethyl)thiolane (CID 176604092) is 3-(2-ethenoxyethyl)thiolane.
What is the SMILES notation for 3-(2-ethenoxyethyl)thiolane?
The canonical SMILES for 3-(2-ethenoxyethyl)thiolane is C=COCCC1CCSC1.
What is the InChIKey of 3-(2-ethenoxyethyl)thiolane?
The InChIKey is CFCFWERCFRFZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-9-5-3-8-4-6-10-7-8/h2,8H,1,3-7H2.
What are the key properties of 3-(2-ethenoxyethyl)thiolane?
3-(2-ethenoxyethyl)thiolane has a molecular weight of 158.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenoxyethyl)thiolane is sourced from PubChem (CID 176604092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).