2-(2-ethenoxyethoxymethyl)thiirane

C7H12O2S — CID 14250185

IUPAC2-(2-ethenoxyethoxymethyl)thiirane
SMILESC=COCCOCC1CS1
InChIInChI=1S/C7H12O2S/c1-2-8-3-4-9-5-7-6-10-7/h2,7H,1,3-6H2
InChIKeyBQIFZZIOYYRTGL-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.28
Rot. Bonds6

About 2-(2-ethenoxyethoxymethyl)thiirane

2-(2-ethenoxyethoxymethyl)thiirane (PubChem CID 14250185) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-(2-ethenoxyethoxymethyl)thiirane.

Molecular Properties

Compound Name2-(2-ethenoxyethoxymethyl)thiirane
PubChem CID14250185
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name2-(2-ethenoxyethoxymethyl)thiirane
SMILESC=COCCOCC1CS1
InChIInChI=1S/C7H12O2S/c1-2-8-3-4-9-5-7-6-10-7/h2,7H,1,3-6H2
InChIKeyBQIFZZIOYYRTGL-UHFFFAOYSA-N
XLogP1.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.28
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethoxymethyl)thiirane?
The IUPAC name of 2-(2-ethenoxyethoxymethyl)thiirane (CID 14250185) is 2-(2-ethenoxyethoxymethyl)thiirane.
What is the SMILES notation for 2-(2-ethenoxyethoxymethyl)thiirane?
The canonical SMILES for 2-(2-ethenoxyethoxymethyl)thiirane is C=COCCOCC1CS1.
What is the InChIKey of 2-(2-ethenoxyethoxymethyl)thiirane?
The InChIKey is BQIFZZIOYYRTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-2-8-3-4-9-5-7-6-10-7/h2,7H,1,3-6H2.
What are the key properties of 2-(2-ethenoxyethoxymethyl)thiirane?
2-(2-ethenoxyethoxymethyl)thiirane has a molecular weight of 160.24 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethoxymethyl)thiirane is sourced from PubChem (CID 14250185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).