2-methyl-1-(3-methylsulfanylpropoxy)propane

C8H18OS — CID 88970426

IUPAC2-methyl-1-(3-methylsulfanylpropoxy)propane
SMILESCSCCCOCC(C)C
InChIInChI=1S/C8H18OS/c1-8(2)7-9-5-4-6-10-3/h8H,4-7H2,1-3H3
InChIKeyCLCGJLGUKPJWOM-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.41
Rot. Bonds6

About 2-methyl-1-(3-methylsulfanylpropoxy)propane

2-methyl-1-(3-methylsulfanylpropoxy)propane (PubChem CID 88970426) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 2-methyl-1-(3-methylsulfanylpropoxy)propane.

Molecular Properties

Compound Name2-methyl-1-(3-methylsulfanylpropoxy)propane
PubChem CID88970426
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name2-methyl-1-(3-methylsulfanylpropoxy)propane
SMILESCSCCCOCC(C)C
InChIInChI=1S/C8H18OS/c1-8(2)7-9-5-4-6-10-3/h8H,4-7H2,1-3H3
InChIKeyCLCGJLGUKPJWOM-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.41
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 2-methyl-1-(3-methylsulfanylpropoxy)propane?
The IUPAC name of 2-methyl-1-(3-methylsulfanylpropoxy)propane (CID 88970426) is 2-methyl-1-(3-methylsulfanylpropoxy)propane.
What is the SMILES notation for 2-methyl-1-(3-methylsulfanylpropoxy)propane?
The canonical SMILES for 2-methyl-1-(3-methylsulfanylpropoxy)propane is CSCCCOCC(C)C.
What is the InChIKey of 2-methyl-1-(3-methylsulfanylpropoxy)propane?
The InChIKey is CLCGJLGUKPJWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-8(2)7-9-5-4-6-10-3/h8H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methylsulfanylpropoxy)propane?
2-methyl-1-(3-methylsulfanylpropoxy)propane has a molecular weight of 162.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylsulfanylpropoxy)propane is sourced from PubChem (CID 88970426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).