3-methoxy-3-methyl-1-methylsulfanyloxybutane

C7H16O2S — CID 146569960

IUPAC3-methoxy-3-methyl-1-methylsulfanyloxybutane
SMILESCOC(C)(C)CCOSC
InChIInChI=1S/C7H16O2S/c1-7(2,8-3)5-6-9-10-4/h5-6H2,1-4H3
InChIKeyICWRRPOLZORVEA-UHFFFAOYSA-N
MW164.27 g/mol
LogP2.10
Rot. Bonds5

About 3-methoxy-3-methyl-1-methylsulfanyloxybutane

3-methoxy-3-methyl-1-methylsulfanyloxybutane (PubChem CID 146569960) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-methylsulfanyloxybutane.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-methylsulfanyloxybutane
PubChem CID146569960
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name3-methoxy-3-methyl-1-methylsulfanyloxybutane
SMILESCOC(C)(C)CCOSC
InChIInChI=1S/C7H16O2S/c1-7(2,8-3)5-6-9-10-4/h5-6H2,1-4H3
InChIKeyICWRRPOLZORVEA-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-2,5-dimethylhexane
CID 552009
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
1-(3-methoxy-3-methylbutoxy)-2-methylpropan-2-amine
CID 103034474
4-methoxy-4-methylpentanenitrile
CID 89129728
1-iodo-3-methoxy-3-methylbutane
CID 22236489
(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate
CID 140987016
3-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 103034470
1-chloro-3-(3-methoxy-3-methylbutoxy)propan-2-ol
CID 106665499
1,6-dimethoxy-6-methylheptane
CID 89190127
5-methoxy-2,5-dimethylhexan-2-ol
CID 21053495
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-methylsulfanyloxybutane?
The IUPAC name of 3-methoxy-3-methyl-1-methylsulfanyloxybutane (CID 146569960) is 3-methoxy-3-methyl-1-methylsulfanyloxybutane.
What is the SMILES notation for 3-methoxy-3-methyl-1-methylsulfanyloxybutane?
The canonical SMILES for 3-methoxy-3-methyl-1-methylsulfanyloxybutane is COC(C)(C)CCOSC.
What is the InChIKey of 3-methoxy-3-methyl-1-methylsulfanyloxybutane?
The InChIKey is ICWRRPOLZORVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S/c1-7(2,8-3)5-6-9-10-4/h5-6H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-methylsulfanyloxybutane?
3-methoxy-3-methyl-1-methylsulfanyloxybutane has a molecular weight of 164.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-methylsulfanyloxybutane is sourced from PubChem (CID 146569960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).