4-butan-2-ylsulfonyloxane

C9H18O3S — CID 134577516

IUPAC4-butan-2-ylsulfonyloxane
SMILESCCC(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H18O3S/c1-3-8(2)13(10,11)9-4-6-12-7-5-9/h8-9H,3-7H2,1-2H3
InChIKeyYKTWICNVUGIOCQ-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.38
Rot. Bonds3

About 4-butan-2-ylsulfonyloxane

4-butan-2-ylsulfonyloxane (PubChem CID 134577516) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-butan-2-ylsulfonyloxane.

Molecular Properties

Compound Name4-butan-2-ylsulfonyloxane
PubChem CID134577516
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name4-butan-2-ylsulfonyloxane
SMILESCCC(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H18O3S/c1-3-8(2)13(10,11)9-4-6-12-7-5-9/h8-9H,3-7H2,1-2H3
InChIKeyYKTWICNVUGIOCQ-UHFFFAOYSA-N
XLogP1.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfonyloxane?
The IUPAC name of 4-butan-2-ylsulfonyloxane (CID 134577516) is 4-butan-2-ylsulfonyloxane.
What is the SMILES notation for 4-butan-2-ylsulfonyloxane?
The canonical SMILES for 4-butan-2-ylsulfonyloxane is CCC(C)S(=O)(=O)C1CCOCC1.
What is the InChIKey of 4-butan-2-ylsulfonyloxane?
The InChIKey is YKTWICNVUGIOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-3-8(2)13(10,11)9-4-6-12-7-5-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-butan-2-ylsulfonyloxane?
4-butan-2-ylsulfonyloxane has a molecular weight of 206.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfonyloxane is sourced from PubChem (CID 134577516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).