3-methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane

C11H24OS — CID 164765901

IUPAC3-methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane
SMILESCC(C)CCOCCSCC(C)C
InChIInChI=1S/C11H24OS/c1-10(2)5-6-12-7-8-13-9-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyNRTAPFILXBGEOW-UHFFFAOYSA-N
MW204.38 g/mol
LogP3.44
Rot. Bonds8

About 3-methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane

3-methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane (PubChem CID 164765901) has the molecular formula C11H24OS and a molecular weight of 204.38 g/mol. Its IUPAC name is 3-methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane.

Molecular Properties

Compound Name3-methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane
PubChem CID164765901
Molecular FormulaC11H24OS
Molecular Weight204.38 g/mol
Exact Mass204.15
IUPAC Name3-methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane
SMILESCC(C)CCOCCSCC(C)C
InChIInChI=1S/C11H24OS/c1-10(2)5-6-12-7-8-13-9-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyNRTAPFILXBGEOW-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane?
The IUPAC name of 3-methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane (CID 164765901) is 3-methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane.
What is the SMILES notation for 3-methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane?
The canonical SMILES for 3-methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane is CC(C)CCOCCSCC(C)C.
What is the InChIKey of 3-methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane?
The InChIKey is NRTAPFILXBGEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OS/c1-10(2)5-6-12-7-8-13-9-11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane?
3-methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane has a molecular weight of 204.38 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2-methylpropylsulfanyl)ethoxy]butane is sourced from PubChem (CID 164765901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).