3-methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane

C10H22OS — CID 123573574

IUPAC3-methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane
SMILESCSC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C10H22OS/c1-9(2,3)11-8-7-10(4,5)12-6/h7-8H2,1-6H3
InChIKeyMPCLWEIJGPPKGQ-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.33
Rot. Bonds4

About 3-methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane

3-methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane (PubChem CID 123573574) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 3-methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane.

Molecular Properties

Compound Name3-methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane
PubChem CID123573574
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name3-methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane
SMILESCSC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C10H22OS/c1-9(2,3)11-8-7-10(4,5)12-6/h7-8H2,1-6H3
InChIKeyMPCLWEIJGPPKGQ-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

(5R)-2,2-dimethyl-5-propan-2-yl-1,4-oxathiane
CID 10910079
Butyraldehyde di-t-butyl thioacetal
CID 129804305
2,2-Dimethyl-5-propan-2-yl-1,4-oxathiane
CID 18541818
2-Ethoxy-2-methyl-1-methylsulfanylpropane
CID 20798622
2-Methyl-2-(3-methylsulfanylpropoxy)propane
CID 58894079
1-Methyl-1-(2-methylsulfanylethoxy)cyclobutane
CID 58894082
(5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane
CID 59062063
2-Methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-methylsulfanylpropane
CID 90296559
2-Methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane
CID 90296561
O-ethyl (3-ethoxy-3-methylbutyl)sulfanylmethanethioate
CID 121263274
Trimethyl-[3-(2-methylbutan-2-yloxy)propyl]-lambda4-sulfane
CID 123289116
3-Methoxy-3-methyl-1-(2-methylsulfanylethoxy)butane
CID 123384203

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane?
The IUPAC name of 3-methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane (CID 123573574) is 3-methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane.
What is the SMILES notation for 3-methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane?
The canonical SMILES for 3-methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane is CSC(C)(C)CCOC(C)(C)C.
What is the InChIKey of 3-methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane?
The InChIKey is MPCLWEIJGPPKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-9(2,3)11-8-7-10(4,5)12-6/h7-8H2,1-6H3.
What are the key properties of 3-methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane?
3-methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane 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-methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane is sourced from PubChem (CID 123573574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).