2-methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane

C8H14O2S — CID 70231192

IUPAC2-methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane
SMILESC=CCOCC1CSC(C)O1
InChIInChI=1S/C8H14O2S/c1-3-4-9-5-8-6-11-7(2)10-8/h3,7-8H,1,4-6H2,2H3
InChIKeyCPYUDADAZTWLHC-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.67
Rot. Bonds4

About 2-methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane

2-methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane (PubChem CID 70231192) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane.

Molecular Properties

Compound Name2-methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane
PubChem CID70231192
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name2-methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane
SMILESC=CCOCC1CSC(C)O1
InChIInChI=1S/C8H14O2S/c1-3-4-9-5-8-6-11-7(2)10-8/h3,7-8H,1,4-6H2,2H3
InChIKeyCPYUDADAZTWLHC-UHFFFAOYSA-N
XLogP1.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane?
The IUPAC name of 2-methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane (CID 70231192) is 2-methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane.
What is the SMILES notation for 2-methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane?
The canonical SMILES for 2-methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane is C=CCOCC1CSC(C)O1.
What is the InChIKey of 2-methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane?
The InChIKey is CPYUDADAZTWLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-3-4-9-5-8-6-11-7(2)10-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 2-methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane?
2-methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane has a molecular weight of 174.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(prop-2-enoxymethyl)-1,3-oxathiolane is sourced from PubChem (CID 70231192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).