4-(tert-butylsulfonylmethyl)-4-methyloxane

C11H22O3S — CID 91145835

IUPAC4-(tert-butylsulfonylmethyl)-4-methyloxane
SMILESCC1(CS(=O)(=O)C(C)(C)C)CCOCC1
InChIInChI=1S/C11H22O3S/c1-10(2,3)15(12,13)9-11(4)5-7-14-8-6-11/h5-9H2,1-4H3
InChIKeyKXTSOARHEVAZSG-UHFFFAOYSA-N
MW234.36 g/mol
LogP2.02
Rot. Bonds2

About 4-(tert-butylsulfonylmethyl)-4-methyloxane

4-(tert-butylsulfonylmethyl)-4-methyloxane (PubChem CID 91145835) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-(tert-butylsulfonylmethyl)-4-methyloxane.

Molecular Properties

Compound Name4-(tert-butylsulfonylmethyl)-4-methyloxane
PubChem CID91145835
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name4-(tert-butylsulfonylmethyl)-4-methyloxane
SMILESCC1(CS(=O)(=O)C(C)(C)C)CCOCC1
InChIInChI=1S/C11H22O3S/c1-10(2,3)15(12,13)9-11(4)5-7-14-8-6-11/h5-9H2,1-4H3
InChIKeyKXTSOARHEVAZSG-UHFFFAOYSA-N
XLogP2.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

4-(Bromomethyl)-4-(methanesulfonylmethyl)oxane
CID 65004771
[4-(Methanesulfonylmethyl)oxan-4-yl]methanol
CID 71757286
(4-Ethyloxan-4-yl)methanesulfonylchloride
CID 165457985
4-(Tert-butylsulfonylmethyl)oxane
CID 57881315
4-(2,3-Dimethylbutan-2-ylsulfonylmethyl)-4-methyloxane
CID 58042674
4-Methyl-4-methylsulfonyloxane
CID 58169936
4-Cyclopropylsulfonyl-4-methyloxane
CID 58169937
4-(2,3,3-Trimethylbutan-2-ylsulfonyl)oxane
CID 58201682
4-[2-(2,3-Dimethylbutan-2-ylsulfonyl)ethyl]oxane
CID 58201699
(2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane
CID 58561976
4-Methyl-4-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane
CID 58561980
3-(Ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane
CID 58814902

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylmethyl)-4-methyloxane?
The IUPAC name of 4-(tert-butylsulfonylmethyl)-4-methyloxane (CID 91145835) is 4-(tert-butylsulfonylmethyl)-4-methyloxane.
What is the SMILES notation for 4-(tert-butylsulfonylmethyl)-4-methyloxane?
The canonical SMILES for 4-(tert-butylsulfonylmethyl)-4-methyloxane is CC1(CS(=O)(=O)C(C)(C)C)CCOCC1.
What is the InChIKey of 4-(tert-butylsulfonylmethyl)-4-methyloxane?
The InChIKey is KXTSOARHEVAZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-10(2,3)15(12,13)9-11(4)5-7-14-8-6-11/h5-9H2,1-4H3.
What are the key properties of 4-(tert-butylsulfonylmethyl)-4-methyloxane?
4-(tert-butylsulfonylmethyl)-4-methyloxane has a molecular weight of 234.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylmethyl)-4-methyloxane is sourced from PubChem (CID 91145835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).