2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane

C12H26O2S2 — CID 90296561

IUPAC2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane
SMILESCCC(C)(COC(C)(C)CSC)OCSC
InChIInChI=1S/C12H26O2S2/c1-7-12(4,14-10-16-6)8-13-11(2,3)9-15-5/h7-10H2,1-6H3
InChIKeyOYHOLGFRJWHNRG-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds9

About 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane

2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane (PubChem CID 90296561) has the molecular formula C12H26O2S2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane
PubChem CID90296561
Molecular FormulaC12H26O2S2
Molecular Weight266.47 g/mol
Exact Mass266.14
IUPAC Name2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane
SMILESCCC(C)(COC(C)(C)CSC)OCSC
InChIInChI=1S/C12H26O2S2/c1-7-12(4,14-10-16-6)8-13-11(2,3)9-15-5/h7-10H2,1-6H3
InChIKeyOYHOLGFRJWHNRG-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane?
The IUPAC name of 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane (CID 90296561) is 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane.
What is the SMILES notation for 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane?
The canonical SMILES for 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane is CCC(C)(COC(C)(C)CSC)OCSC.
What is the InChIKey of 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane?
The InChIKey is OYHOLGFRJWHNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2S2/c1-7-12(4,14-10-16-6)8-13-11(2,3)9-15-5/h7-10H2,1-6H3.
What are the key properties of 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane?
2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane has a molecular weight of 266.47 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane is sourced from PubChem (CID 90296561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).