2-methyl-1-[(methyldisulfanyl)methoxy]propane

C6H14OS2 — CID 166830923

IUPAC2-methyl-1-[(methyldisulfanyl)methoxy]propane
SMILESCSSCOCC(C)C
InChIInChI=1S/C6H14OS2/c1-6(2)4-7-5-9-8-3/h6H,4-5H2,1-3H3
InChIKeyFAWZQLMKQDBSIK-UHFFFAOYSA-N
MW166.31 g/mol
LogP2.63
Rot. Bonds5

About 2-methyl-1-[(methyldisulfanyl)methoxy]propane

2-methyl-1-[(methyldisulfanyl)methoxy]propane (PubChem CID 166830923) has the molecular formula C6H14OS2 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-methyl-1-[(methyldisulfanyl)methoxy]propane.

Molecular Properties

Compound Name2-methyl-1-[(methyldisulfanyl)methoxy]propane
PubChem CID166830923
Molecular FormulaC6H14OS2
Molecular Weight166.31 g/mol
Exact Mass166.05
IUPAC Name2-methyl-1-[(methyldisulfanyl)methoxy]propane
SMILESCSSCOCC(C)C
InChIInChI=1S/C6H14OS2/c1-6(2)4-7-5-9-8-3/h6H,4-5H2,1-3H3
InChIKeyFAWZQLMKQDBSIK-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
ethanol;2-methyl-1-(2-methylpropoxy)propane
CID 23506368
2-methylpropoxymethyl hypochlorite
CID 122692331
acetic acid;2-methyl-1-(2-methylpropoxy)propane
CID 87879635
2-methyl-1-(2-methylpropoxy)propane;2-methyl-N-(2-methylpropyl)propan-1-amine
CID 167710729
bis(2-methylpropoxy)methylsilane
CID 123767341
2-methyl-1-prop-2-ynoxypropane
CID 57470525
1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane
CID 19753155
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
2-methyl-1-(2,2,2-trichloroethoxy)propane
CID 138495364
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(methyldisulfanyl)methoxy]propane?
The IUPAC name of 2-methyl-1-[(methyldisulfanyl)methoxy]propane (CID 166830923) is 2-methyl-1-[(methyldisulfanyl)methoxy]propane.
What is the SMILES notation for 2-methyl-1-[(methyldisulfanyl)methoxy]propane?
The canonical SMILES for 2-methyl-1-[(methyldisulfanyl)methoxy]propane is CSSCOCC(C)C.
What is the InChIKey of 2-methyl-1-[(methyldisulfanyl)methoxy]propane?
The InChIKey is FAWZQLMKQDBSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS2/c1-6(2)4-7-5-9-8-3/h6H,4-5H2,1-3H3.
What are the key properties of 2-methyl-1-[(methyldisulfanyl)methoxy]propane?
2-methyl-1-[(methyldisulfanyl)methoxy]propane has a molecular weight of 166.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(methyldisulfanyl)methoxy]propane is sourced from PubChem (CID 166830923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).