2-but-3-en-2-ylsulfonyloxane

C9H16O3S — CID 67543351

IUPAC2-but-3-en-2-ylsulfonyloxane
SMILESC=CC(C)S(=O)(=O)C1CCCCO1
InChIInChI=1S/C9H16O3S/c1-3-8(2)13(10,11)9-6-4-5-7-12-9/h3,8-9H,1,4-7H2,2H3
InChIKeyFDJTZQLHULUQPY-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.50
Rot. Bonds3

About 2-but-3-en-2-ylsulfonyloxane

2-but-3-en-2-ylsulfonyloxane (PubChem CID 67543351) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-but-3-en-2-ylsulfonyloxane.

Molecular Properties

Compound Name2-but-3-en-2-ylsulfonyloxane
PubChem CID67543351
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name2-but-3-en-2-ylsulfonyloxane
SMILESC=CC(C)S(=O)(=O)C1CCCCO1
InChIInChI=1S/C9H16O3S/c1-3-8(2)13(10,11)9-6-4-5-7-12-9/h3,8-9H,1,4-7H2,2H3
InChIKeyFDJTZQLHULUQPY-UHFFFAOYSA-N
XLogP1.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-ylsulfonyloxane?
The IUPAC name of 2-but-3-en-2-ylsulfonyloxane (CID 67543351) is 2-but-3-en-2-ylsulfonyloxane.
What is the SMILES notation for 2-but-3-en-2-ylsulfonyloxane?
The canonical SMILES for 2-but-3-en-2-ylsulfonyloxane is C=CC(C)S(=O)(=O)C1CCCCO1.
What is the InChIKey of 2-but-3-en-2-ylsulfonyloxane?
The InChIKey is FDJTZQLHULUQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c1-3-8(2)13(10,11)9-6-4-5-7-12-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 2-but-3-en-2-ylsulfonyloxane?
2-but-3-en-2-ylsulfonyloxane has a molecular weight of 204.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-ylsulfonyloxane is sourced from PubChem (CID 67543351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).