4-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane

C12H24O3S — CID 59253235

IUPAC4-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane
SMILESCC(C)C(C)(C)S(=O)(=O)CC1CCOCC1
InChIInChI=1S/C12H24O3S/c1-10(2)12(3,4)16(13,14)9-11-5-7-15-8-6-11/h10-11H,5-9H2,1-4H3
InChIKeySWLHCLATIPRMNF-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.26
Rot. Bonds4

About 4-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane

4-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane (PubChem CID 59253235) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane.

Molecular Properties

Compound Name4-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane
PubChem CID59253235
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name4-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane
SMILESCC(C)C(C)(C)S(=O)(=O)CC1CCOCC1
InChIInChI=1S/C12H24O3S/c1-10(2)12(3,4)16(13,14)9-11-5-7-15-8-6-11/h10-11H,5-9H2,1-4H3
InChIKeySWLHCLATIPRMNF-UHFFFAOYSA-N
XLogP2.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane?
The IUPAC name of 4-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane (CID 59253235) is 4-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane.
What is the SMILES notation for 4-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane?
The canonical SMILES for 4-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane is CC(C)C(C)(C)S(=O)(=O)CC1CCOCC1.
What is the InChIKey of 4-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane?
The InChIKey is SWLHCLATIPRMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3S/c1-10(2)12(3,4)16(13,14)9-11-5-7-15-8-6-11/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane?
4-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane has a molecular weight of 248.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxane is sourced from PubChem (CID 59253235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).