3-(3-ethenoxypropyl)thiolane 1-oxide

C9H16O2S — CID 176603290

IUPAC3-(3-ethenoxypropyl)thiolane 1-oxide
SMILESC=COCCCC1CCS(=O)C1
InChIInChI=1S/C9H16O2S/c1-2-11-6-3-4-9-5-7-12(10)8-9/h2,9H,1,3-8H2
InChIKeyJLJLTECZCBHGRX-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.70
Rot. Bonds5

About 3-(3-ethenoxypropyl)thiolane 1-oxide

3-(3-ethenoxypropyl)thiolane 1-oxide (PubChem CID 176603290) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 3-(3-ethenoxypropyl)thiolane 1-oxide.

Molecular Properties

Compound Name3-(3-ethenoxypropyl)thiolane 1-oxide
PubChem CID176603290
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name3-(3-ethenoxypropyl)thiolane 1-oxide
SMILESC=COCCCC1CCS(=O)C1
InChIInChI=1S/C9H16O2S/c1-2-11-6-3-4-9-5-7-12(10)8-9/h2,9H,1,3-8H2
InChIKeyJLJLTECZCBHGRX-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.70
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-Methoxyethyl)-3-methylthiolane 1,1-dioxide
CID 168955034
2-(3-Ethenoxypropyl)-2-ethylthiolane 1-oxide
CID 176603096
2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
3-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603348
2-(Ethenoxymethyl)-2-ethylthiane 1-oxide
CID 176603484
2-(3-Ethenoxypropyl)-2-ethylthiolane 1,1-dioxide
CID 176603566
3-(2-Ethenoxyethyl)thiolane 1-oxide
CID 176603611
2-(Ethenoxymethyl)-2-ethylthiolane 1-oxide
CID 176603638
3-[3-(2-Methylprop-1-enoxy)propyl]thiolane 1-oxide
CID 176603660
4-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603702
2-(2-Ethenoxyethyl)-2-methylthiolane 1,1-dioxide
CID 176603800
3-(3-Ethenoxypropyl)-3-ethylthiolane 1,1-dioxide
CID 176603899

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenoxypropyl)thiolane 1-oxide?
The IUPAC name of 3-(3-ethenoxypropyl)thiolane 1-oxide (CID 176603290) is 3-(3-ethenoxypropyl)thiolane 1-oxide.
What is the SMILES notation for 3-(3-ethenoxypropyl)thiolane 1-oxide?
The canonical SMILES for 3-(3-ethenoxypropyl)thiolane 1-oxide is C=COCCCC1CCS(=O)C1.
What is the InChIKey of 3-(3-ethenoxypropyl)thiolane 1-oxide?
The InChIKey is JLJLTECZCBHGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-2-11-6-3-4-9-5-7-12(10)8-9/h2,9H,1,3-8H2.
What are the key properties of 3-(3-ethenoxypropyl)thiolane 1-oxide?
3-(3-ethenoxypropyl)thiolane 1-oxide has a molecular weight of 188.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenoxypropyl)thiolane 1-oxide is sourced from PubChem (CID 176603290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).