4-(2-methylbutan-2-ylsulfonylmethyl)oxane

C11H22O3S — CID 66695302

IUPAC4-(2-methylbutan-2-ylsulfonylmethyl)oxane
SMILESCCC(C)(C)S(=O)(=O)CC1CCOCC1
InChIInChI=1S/C11H22O3S/c1-4-11(2,3)15(12,13)9-10-5-7-14-8-6-10/h10H,4-9H2,1-3H3
InChIKeyPHSGCHGAMZFPNB-UHFFFAOYSA-N
MW234.36 g/mol
LogP2.02
Rot. Bonds4

About 4-(2-methylbutan-2-ylsulfonylmethyl)oxane

4-(2-methylbutan-2-ylsulfonylmethyl)oxane (PubChem CID 66695302) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-(2-methylbutan-2-ylsulfonylmethyl)oxane.

Molecular Properties

Compound Name4-(2-methylbutan-2-ylsulfonylmethyl)oxane
PubChem CID66695302
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name4-(2-methylbutan-2-ylsulfonylmethyl)oxane
SMILESCCC(C)(C)S(=O)(=O)CC1CCOCC1
InChIInChI=1S/C11H22O3S/c1-4-11(2,3)15(12,13)9-10-5-7-14-8-6-10/h10H,4-9H2,1-3H3
InChIKeyPHSGCHGAMZFPNB-UHFFFAOYSA-N
XLogP2.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-ylsulfonylmethyl)oxane?
The IUPAC name of 4-(2-methylbutan-2-ylsulfonylmethyl)oxane (CID 66695302) is 4-(2-methylbutan-2-ylsulfonylmethyl)oxane.
What is the SMILES notation for 4-(2-methylbutan-2-ylsulfonylmethyl)oxane?
The canonical SMILES for 4-(2-methylbutan-2-ylsulfonylmethyl)oxane is CCC(C)(C)S(=O)(=O)CC1CCOCC1.
What is the InChIKey of 4-(2-methylbutan-2-ylsulfonylmethyl)oxane?
The InChIKey is PHSGCHGAMZFPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-4-11(2,3)15(12,13)9-10-5-7-14-8-6-10/h10H,4-9H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-ylsulfonylmethyl)oxane?
4-(2-methylbutan-2-ylsulfonylmethyl)oxane has a molecular weight of 234.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-ylsulfonylmethyl)oxane is sourced from PubChem (CID 66695302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).