5-(prop-2-ynoxymethyl)-1,3-oxathiolane

C7H10O2S — CID 173282948

IUPAC5-(prop-2-ynoxymethyl)-1,3-oxathiolane
SMILESC#CCOCC1CSCO1
InChIInChI=1S/C7H10O2S/c1-2-3-8-4-7-5-10-6-9-7/h1,7H,3-6H2
InChIKeyOVFVJSZWQMNJCY-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.73
Rot. Bonds3

About 5-(prop-2-ynoxymethyl)-1,3-oxathiolane

5-(prop-2-ynoxymethyl)-1,3-oxathiolane (PubChem CID 173282948) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is 5-(prop-2-ynoxymethyl)-1,3-oxathiolane.

Molecular Properties

Compound Name5-(prop-2-ynoxymethyl)-1,3-oxathiolane
PubChem CID173282948
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Name5-(prop-2-ynoxymethyl)-1,3-oxathiolane
SMILESC#CCOCC1CSCO1
InChIInChI=1S/C7H10O2S/c1-2-3-8-4-7-5-10-6-9-7/h1,7H,3-6H2
InChIKeyOVFVJSZWQMNJCY-UHFFFAOYSA-N
XLogP0.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(prop-2-ynoxymethyl)-1,3-oxathiolane?
The IUPAC name of 5-(prop-2-ynoxymethyl)-1,3-oxathiolane (CID 173282948) is 5-(prop-2-ynoxymethyl)-1,3-oxathiolane.
What is the SMILES notation for 5-(prop-2-ynoxymethyl)-1,3-oxathiolane?
The canonical SMILES for 5-(prop-2-ynoxymethyl)-1,3-oxathiolane is C#CCOCC1CSCO1.
What is the InChIKey of 5-(prop-2-ynoxymethyl)-1,3-oxathiolane?
The InChIKey is OVFVJSZWQMNJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c1-2-3-8-4-7-5-10-6-9-7/h1,7H,3-6H2.
What are the key properties of 5-(prop-2-ynoxymethyl)-1,3-oxathiolane?
5-(prop-2-ynoxymethyl)-1,3-oxathiolane has a molecular weight of 158.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(prop-2-ynoxymethyl)-1,3-oxathiolane is sourced from PubChem (CID 173282948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).