2-but-3-enyl-2-methyl-1,3-oxathiolane

C8H14OS — CID 15938034

IUPAC2-but-3-enyl-2-methyl-1,3-oxathiolane
SMILESC=CCCC1(C)OCCS1
InChIInChI=1S/C8H14OS/c1-3-4-5-8(2)9-6-7-10-8/h3H,1,4-7H2,2H3
InChIKeyJTVMEKXTHXWVGV-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.43
Rot. Bonds3

About 2-but-3-enyl-2-methyl-1,3-oxathiolane

2-but-3-enyl-2-methyl-1,3-oxathiolane (PubChem CID 15938034) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-but-3-enyl-2-methyl-1,3-oxathiolane.

Molecular Properties

Compound Name2-but-3-enyl-2-methyl-1,3-oxathiolane
PubChem CID15938034
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-but-3-enyl-2-methyl-1,3-oxathiolane
SMILESC=CCCC1(C)OCCS1
InChIInChI=1S/C8H14OS/c1-3-4-5-8(2)9-6-7-10-8/h3H,1,4-7H2,2H3
InChIKeyJTVMEKXTHXWVGV-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-2-methyl-1,3-oxathiolane?
The IUPAC name of 2-but-3-enyl-2-methyl-1,3-oxathiolane (CID 15938034) is 2-but-3-enyl-2-methyl-1,3-oxathiolane.
What is the SMILES notation for 2-but-3-enyl-2-methyl-1,3-oxathiolane?
The canonical SMILES for 2-but-3-enyl-2-methyl-1,3-oxathiolane is C=CCCC1(C)OCCS1.
What is the InChIKey of 2-but-3-enyl-2-methyl-1,3-oxathiolane?
The InChIKey is JTVMEKXTHXWVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-3-4-5-8(2)9-6-7-10-8/h3H,1,4-7H2,2H3.
What are the key properties of 2-but-3-enyl-2-methyl-1,3-oxathiolane?
2-but-3-enyl-2-methyl-1,3-oxathiolane has a molecular weight of 158.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-2-methyl-1,3-oxathiolane is sourced from PubChem (CID 15938034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).