3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane

C12H26O4S — CID 167212382

IUPAC3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane
SMILESCOC(C)(C)CCOC(C)(C)CCS(C)(=O)=O
InChIInChI=1S/C12H26O4S/c1-11(2,15-5)7-9-16-12(3,4)8-10-17(6,13)14/h7-10H2,1-6H3
InChIKeyAJINNKZASWKMNU-UHFFFAOYSA-N
MW266.40 g/mol
LogP2.03
Rot. Bonds8

About 3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane

3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane (PubChem CID 167212382) has the molecular formula C12H26O4S and a molecular weight of 266.40 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane
PubChem CID167212382
Molecular FormulaC12H26O4S
Molecular Weight266.40 g/mol
Exact Mass266.16
IUPAC Name3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane
SMILESCOC(C)(C)CCOC(C)(C)CCS(C)(=O)=O
InChIInChI=1S/C12H26O4S/c1-11(2,15-5)7-9-16-12(3,4)8-10-17(6,13)14/h7-10H2,1-6H3
InChIKeyAJINNKZASWKMNU-UHFFFAOYSA-N
XLogP2.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxy-3-methylbutoxy)propane-2-sulfonic acid
CID 134602759
3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 103033177
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716
tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate
CID 88982761
[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] 4-fluorobenzenesulfonate
CID 142505105
ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate
CID 143339482
[4-(3-methoxy-3-methylbutoxy)-3,3-dimethylbutyl] methanesulfonate
CID 123615001
4-(3-methoxy-3-methylbutoxy)-4-methylpent-1-yne
CID 130389054
3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one
CID 123396731
2-methyl-2-(3-methylsulfonylpropoxy)propan-1-amine
CID 65053387
1,2,3,4,5-pentafluoro-6-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]benzene
CID 134286097
2-methyl-2-(2-methylsulfonylethoxy)propane
CID 89144849

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane?
The IUPAC name of 3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane (CID 167212382) is 3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane.
What is the SMILES notation for 3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane?
The canonical SMILES for 3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane is COC(C)(C)CCOC(C)(C)CCS(C)(=O)=O.
What is the InChIKey of 3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane?
The InChIKey is AJINNKZASWKMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4S/c1-11(2,15-5)7-9-16-12(3,4)8-10-17(6,13)14/h7-10H2,1-6H3.
What are the key properties of 3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane?
3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane has a molecular weight of 266.40 g/mol, XLogP of 2.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane is sourced from PubChem (CID 167212382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).