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

C11H24O2S2 — CID 90296562

IUPAC2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)propane
SMILESCSCOC(C)(C)COC(C)(C)CSC
InChIInChI=1S/C11H24O2S2/c1-10(2,13-9-15-6)7-12-11(3,4)8-14-5/h7-9H2,1-6H3
InChIKeyFDZZXTSTGURLIT-UHFFFAOYSA-N
MW252.44 g/mol
LogP3.26
Rot. Bonds8

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

2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)propane (PubChem CID 90296562) has the molecular formula C11H24O2S2 and a molecular weight of 252.44 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)propane.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)propane
PubChem CID90296562
Molecular FormulaC11H24O2S2
Molecular Weight252.44 g/mol
Exact Mass252.12
IUPAC Name2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)propane
SMILESCSCOC(C)(C)COC(C)(C)CSC
InChIInChI=1S/C11H24O2S2/c1-10(2,13-9-15-6)7-12-11(3,4)8-14-5/h7-9H2,1-6H3
InChIKeyFDZZXTSTGURLIT-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.44
LogP ≤ 53.26
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)propane?
The IUPAC name of 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)propane (CID 90296562) is 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)propane.
What is the SMILES notation for 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)propane?
The canonical SMILES for 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)propane is CSCOC(C)(C)COC(C)(C)CSC.
What is the InChIKey of 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)propane?
The InChIKey is FDZZXTSTGURLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S2/c1-10(2,13-9-15-6)7-12-11(3,4)8-14-5/h7-9H2,1-6H3.
What are the key properties of 2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)propane?
2-methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)propane has a molecular weight of 252.44 g/mol, XLogP of 3.26, 8 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)propane is sourced from PubChem (CID 90296562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).