2-(3-ethenoxypropyl)thiolane 1,1-dioxide

C9H16O3S — CID 176604129

IUPAC2-(3-ethenoxypropyl)thiolane 1,1-dioxide
SMILESC=COCCCC1CCCS1(=O)=O
InChIInChI=1S/C9H16O3S/c1-2-12-7-3-5-9-6-4-8-13(9,10)11/h2,9H,1,3-8H2
InChIKeyOCWKLKVVKXPFBC-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.50
Rot. Bonds5

About 2-(3-ethenoxypropyl)thiolane 1,1-dioxide

2-(3-ethenoxypropyl)thiolane 1,1-dioxide (PubChem CID 176604129) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-(3-ethenoxypropyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(3-ethenoxypropyl)thiolane 1,1-dioxide
PubChem CID176604129
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name2-(3-ethenoxypropyl)thiolane 1,1-dioxide
SMILESC=COCCCC1CCCS1(=O)=O
InChIInChI=1S/C9H16O3S/c1-2-12-7-3-5-9-6-4-8-13(9,10)11/h2,9H,1,3-8H2
InChIKeyOCWKLKVVKXPFBC-UHFFFAOYSA-N
XLogP1.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-Decoxythiolane 1,1-dioxide
CID 25088416
2-Nonoxythiolane 1,1-dioxide
CID 85884406
2-(1-Ethenoxyethyl)thiolane 1,1-dioxide
CID 176602943
2-(Ethenoxymethyl)thiocane 1-oxide
CID 176603086
2-(3-Ethenoxypropyl)thiane 1,1-dioxide
CID 176603087
2-(3-Ethenoxypropyl)-2-ethylthiolane 1-oxide
CID 176603096
2-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603382
2-(3-Ethenoxypropyl)-2-ethylthiolane 1,1-dioxide
CID 176603566
2-(3-Ethenoxypropyl)thiocane 1-oxide
CID 176603657
2-(2-Ethenoxyethyl)-2-methylthiolane 1,1-dioxide
CID 176603800
2-(Ethenoxymethyl)thiocane 1,1-dioxide
CID 176603810
2-(2-Ethenoxyethyl)thiolane 1,1-dioxide
CID 176603874

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropyl)thiolane 1,1-dioxide?
The IUPAC name of 2-(3-ethenoxypropyl)thiolane 1,1-dioxide (CID 176604129) is 2-(3-ethenoxypropyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(3-ethenoxypropyl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(3-ethenoxypropyl)thiolane 1,1-dioxide is C=COCCCC1CCCS1(=O)=O.
What is the InChIKey of 2-(3-ethenoxypropyl)thiolane 1,1-dioxide?
The InChIKey is OCWKLKVVKXPFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c1-2-12-7-3-5-9-6-4-8-13(9,10)11/h2,9H,1,3-8H2.
What are the key properties of 2-(3-ethenoxypropyl)thiolane 1,1-dioxide?
2-(3-ethenoxypropyl)thiolane 1,1-dioxide has a molecular weight of 204.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropyl)thiolane 1,1-dioxide is sourced from PubChem (CID 176604129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).