2-methoxy-2,3-dimethyl-3-sulfanyloxybutane

C7H16O2S — CID 123257437

IUPAC2-methoxy-2,3-dimethyl-3-sulfanyloxybutane
SMILESCOC(C)(C)C(C)(C)OS
InChIInChI=1S/C7H16O2S/c1-6(2,8-5)7(3,4)9-10/h10H,1-5H3
InChIKeyWXSZTZJVXBEIOM-UHFFFAOYSA-N
MW164.27 g/mol
LogP2.05
Rot. Bonds3

About 2-methoxy-2,3-dimethyl-3-sulfanyloxybutane

2-methoxy-2,3-dimethyl-3-sulfanyloxybutane (PubChem CID 123257437) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 2-methoxy-2,3-dimethyl-3-sulfanyloxybutane.

Molecular Properties

Compound Name2-methoxy-2,3-dimethyl-3-sulfanyloxybutane
PubChem CID123257437
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name2-methoxy-2,3-dimethyl-3-sulfanyloxybutane
SMILESCOC(C)(C)C(C)(C)OS
InChIInChI=1S/C7H16O2S/c1-6(2,8-5)7(3,4)9-10/h10H,1-5H3
InChIKeyWXSZTZJVXBEIOM-UHFFFAOYSA-N
XLogP2.05
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutane
CID 88631923
1,1,1-trichloro-2-methoxy-2-methylpropane
CID 14399470
1,1,1-trifluoro-2-methoxy-2-methylpropane
CID 21360384
1,1-dichloro-1-sulfanyloxyethane
CID 21115275
3-methoxy-2,3-dimethylbutan-2-olate;tris(oxygen(2-));rhenium
CID 139134945
CID 123302029
CID 123302029
2-methoxy-2-methylpropane;hydrate
CID 23212559
hydron;2-methoxy-2-methylpropane
CID 174107716
1,1,2-trimethoxy-1-silylpropane-2-thiol
CID 173183567
2-methyl-4-sulfanyloxybutane-1,1,1,2,3,3,4,4-octathiol
CID 146291911
hydrazine;2-methoxy-2-methylpropane
CID 158568740
2,3-difluoro-2,3-dimethoxybutane
CID 174333179

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,3-dimethyl-3-sulfanyloxybutane?
The IUPAC name of 2-methoxy-2,3-dimethyl-3-sulfanyloxybutane (CID 123257437) is 2-methoxy-2,3-dimethyl-3-sulfanyloxybutane.
What is the SMILES notation for 2-methoxy-2,3-dimethyl-3-sulfanyloxybutane?
The canonical SMILES for 2-methoxy-2,3-dimethyl-3-sulfanyloxybutane is COC(C)(C)C(C)(C)OS.
What is the InChIKey of 2-methoxy-2,3-dimethyl-3-sulfanyloxybutane?
The InChIKey is WXSZTZJVXBEIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S/c1-6(2,8-5)7(3,4)9-10/h10H,1-5H3.
What are the key properties of 2-methoxy-2,3-dimethyl-3-sulfanyloxybutane?
2-methoxy-2,3-dimethyl-3-sulfanyloxybutane has a molecular weight of 164.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,3-dimethyl-3-sulfanyloxybutane is sourced from PubChem (CID 123257437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).