3-tert-butylsulfanyl-1-methoxy-3-methylbutane

C10H22OS — CID 86117675

IUPAC3-tert-butylsulfanyl-1-methoxy-3-methylbutane
SMILESCOCCC(C)(C)SC(C)(C)C
InChIInChI=1S/C10H22OS/c1-9(2,3)12-10(4,5)7-8-11-6/h7-8H2,1-6H3
InChIKeyXMLKTKAYVSIFSK-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.33
Rot. Bonds4

About 3-tert-butylsulfanyl-1-methoxy-3-methylbutane

3-tert-butylsulfanyl-1-methoxy-3-methylbutane (PubChem CID 86117675) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 3-tert-butylsulfanyl-1-methoxy-3-methylbutane.

Molecular Properties

Compound Name3-tert-butylsulfanyl-1-methoxy-3-methylbutane
PubChem CID86117675
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name3-tert-butylsulfanyl-1-methoxy-3-methylbutane
SMILESCOCCC(C)(C)SC(C)(C)C
InChIInChI=1S/C10H22OS/c1-9(2,3)12-10(4,5)7-8-11-6/h7-8H2,1-6H3
InChIKeyXMLKTKAYVSIFSK-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4,4-Tetramethyl-1,3-oxathiane
CID 18539821
2-Tert-butylsulfanyl-1-methoxy-2-(methoxymethyl)butane
CID 53929127
1-(2-Methoxyethylsulfanyl)-3-methylbutane
CID 88910390
1-Methoxy-4-propan-2-ylsulfanylbutane
CID 89194815
1-Tert-butylsulfanyl-1-methoxy-3,3-dimethylbutane
CID 89232494
3-(4-Ethenoxy-2-methylbutan-2-yl)sulfanyl-1-methoxy-3-methylbutane
CID 123387101
Ethane;1-ethylsulfanyl-1-methoxy-2-methylbutane
CID 143378223
1-Tert-butylsulfanyl-4-methoxy-2-methylbutane
CID 143964698
3-Methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane
CID 164765901
3-Methyl-1-(2-propylsulfanylethoxy)butane
CID 164820208
Ethane;3-ethyl-3-methylsulfanyloxetane
CID 170732273
3-Butylsulfanyl-1-methoxybutane
CID 173420901

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfanyl-1-methoxy-3-methylbutane?
The IUPAC name of 3-tert-butylsulfanyl-1-methoxy-3-methylbutane (CID 86117675) is 3-tert-butylsulfanyl-1-methoxy-3-methylbutane.
What is the SMILES notation for 3-tert-butylsulfanyl-1-methoxy-3-methylbutane?
The canonical SMILES for 3-tert-butylsulfanyl-1-methoxy-3-methylbutane is COCCC(C)(C)SC(C)(C)C.
What is the InChIKey of 3-tert-butylsulfanyl-1-methoxy-3-methylbutane?
The InChIKey is XMLKTKAYVSIFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-9(2,3)12-10(4,5)7-8-11-6/h7-8H2,1-6H3.
What are the key properties of 3-tert-butylsulfanyl-1-methoxy-3-methylbutane?
3-tert-butylsulfanyl-1-methoxy-3-methylbutane has a molecular weight of 190.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfanyl-1-methoxy-3-methylbutane is sourced from PubChem (CID 86117675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).