3-methyl-1-(2-propan-2-yloxyethylsulfanyl)butane

C10H22OS — CID 59855715

IUPAC3-methyl-1-(2-propan-2-yloxyethylsulfanyl)butane
SMILESCC(C)CCSCCOC(C)C
InChIInChI=1S/C10H22OS/c1-9(2)5-7-12-8-6-11-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyTZLXSASYKZNADG-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.19
Rot. Bonds7

About 3-methyl-1-(2-propan-2-yloxyethylsulfanyl)butane

3-methyl-1-(2-propan-2-yloxyethylsulfanyl)butane (PubChem CID 59855715) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 3-methyl-1-(2-propan-2-yloxyethylsulfanyl)butane.

Molecular Properties

Compound Name3-methyl-1-(2-propan-2-yloxyethylsulfanyl)butane
PubChem CID59855715
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name3-methyl-1-(2-propan-2-yloxyethylsulfanyl)butane
SMILESCC(C)CCSCCOC(C)C
InChIInChI=1S/C10H22OS/c1-9(2)5-7-12-8-6-11-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyTZLXSASYKZNADG-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 53.19
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-propan-2-yloxyethylsulfanyl)butane?
The IUPAC name of 3-methyl-1-(2-propan-2-yloxyethylsulfanyl)butane (CID 59855715) is 3-methyl-1-(2-propan-2-yloxyethylsulfanyl)butane.
What is the SMILES notation for 3-methyl-1-(2-propan-2-yloxyethylsulfanyl)butane?
The canonical SMILES for 3-methyl-1-(2-propan-2-yloxyethylsulfanyl)butane is CC(C)CCSCCOC(C)C.
What is the InChIKey of 3-methyl-1-(2-propan-2-yloxyethylsulfanyl)butane?
The InChIKey is TZLXSASYKZNADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-9(2)5-7-12-8-6-11-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-methyl-1-(2-propan-2-yloxyethylsulfanyl)butane?
3-methyl-1-(2-propan-2-yloxyethylsulfanyl)butane has a molecular weight of 190.35 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propan-2-yloxyethylsulfanyl)butane is sourced from PubChem (CID 59855715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).