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

C8H18OS — CID 58894079

IUPAC2-methyl-2-(3-methylsulfanylpropoxy)propane
SMILESCSCCCOC(C)(C)C
InChIInChI=1S/C8H18OS/c1-8(2,3)9-6-5-7-10-4/h5-7H2,1-4H3
InChIKeyMMDODNCPFARMIT-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.55
Rot. Bonds4

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

2-methyl-2-(3-methylsulfanylpropoxy)propane (PubChem CID 58894079) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 2-methyl-2-(3-methylsulfanylpropoxy)propane.

Molecular Properties

Compound Name2-methyl-2-(3-methylsulfanylpropoxy)propane
PubChem CID58894079
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name2-methyl-2-(3-methylsulfanylpropoxy)propane
SMILESCSCCCOC(C)(C)C
InChIInChI=1S/C8H18OS/c1-8(2,3)9-6-5-7-10-4/h5-7H2,1-4H3
InChIKeyMMDODNCPFARMIT-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.55
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-2-(3-methylsulfanylpropoxy)propane?
The IUPAC name of 2-methyl-2-(3-methylsulfanylpropoxy)propane (CID 58894079) is 2-methyl-2-(3-methylsulfanylpropoxy)propane.
What is the SMILES notation for 2-methyl-2-(3-methylsulfanylpropoxy)propane?
The canonical SMILES for 2-methyl-2-(3-methylsulfanylpropoxy)propane is CSCCCOC(C)(C)C.
What is the InChIKey of 2-methyl-2-(3-methylsulfanylpropoxy)propane?
The InChIKey is MMDODNCPFARMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-8(2,3)9-6-5-7-10-4/h5-7H2,1-4H3.
What are the key properties of 2-methyl-2-(3-methylsulfanylpropoxy)propane?
2-methyl-2-(3-methylsulfanylpropoxy)propane has a molecular weight of 162.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylsulfanylpropoxy)propane is sourced from PubChem (CID 58894079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).