2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane

C12H26OS2 — CID 140903580

IUPAC2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane
SMILESCC(C)CSCCOCCSCC(C)C
InChIInChI=1S/C12H26OS2/c1-11(2)9-14-7-5-13-6-8-15-10-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyQOJBYTQMIJAUAS-UHFFFAOYSA-N
MW250.47 g/mol
LogP3.78
Rot. Bonds10

About 2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane

2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane (PubChem CID 140903580) has the molecular formula C12H26OS2 and a molecular weight of 250.47 g/mol. Its IUPAC name is 2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane.

Molecular Properties

Compound Name2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane
PubChem CID140903580
Molecular FormulaC12H26OS2
Molecular Weight250.47 g/mol
Exact Mass250.14
IUPAC Name2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane
SMILESCC(C)CSCCOCCSCC(C)C
InChIInChI=1S/C12H26OS2/c1-11(2)9-14-7-5-13-6-8-15-10-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyQOJBYTQMIJAUAS-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane?
The IUPAC name of 2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane (CID 140903580) is 2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane.
What is the SMILES notation for 2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane?
The canonical SMILES for 2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane is CC(C)CSCCOCCSCC(C)C.
What is the InChIKey of 2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane?
The InChIKey is QOJBYTQMIJAUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OS2/c1-11(2)9-14-7-5-13-6-8-15-10-12(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane?
2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane has a molecular weight of 250.47 g/mol, XLogP of 3.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethoxy]ethylsulfanyl]propane is sourced from PubChem (CID 140903580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).