3-methoxy-3-methyl-1-(2-methylsulfanylethoxy)butane

C9H20O2S — CID 123384203

IUPAC3-methoxy-3-methyl-1-(2-methylsulfanylethoxy)butane
SMILESCOC(C)(C)CCOCCSC
InChIInChI=1S/C9H20O2S/c1-9(2,10-3)5-6-11-7-8-12-4/h5-8H2,1-4H3
InChIKeyCFCLCXIBKPYLPM-UHFFFAOYSA-N
MW192.32 g/mol
LogP2.18
Rot. Bonds7

About 3-methoxy-3-methyl-1-(2-methylsulfanylethoxy)butane

3-methoxy-3-methyl-1-(2-methylsulfanylethoxy)butane (PubChem CID 123384203) has the molecular formula C9H20O2S and a molecular weight of 192.32 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(2-methylsulfanylethoxy)butane.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(2-methylsulfanylethoxy)butane
PubChem CID123384203
Molecular FormulaC9H20O2S
Molecular Weight192.32 g/mol
Exact Mass192.12
IUPAC Name3-methoxy-3-methyl-1-(2-methylsulfanylethoxy)butane
SMILESCOC(C)(C)CCOCCSC
InChIInChI=1S/C9H20O2S/c1-9(2,10-3)5-6-11-7-8-12-4/h5-8H2,1-4H3
InChIKeyCFCLCXIBKPYLPM-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Butyraldehyde di-t-butyl thioacetal
CID 129804305
1-Methyl-1-(2-methylsulfanylethoxy)cyclobutane
CID 58894082
m-PEG-thiol, MW 10K
CID 88882997
3-Methyl-3-[3-methyl-3-(2-sulfanylethoxy)butoxy]butane-1-thiol
CID 88891197
2-Methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-(methylsulfanylmethoxy)butane
CID 90296561
3-Ethyl-1-(2-methylsulfanylpropan-2-yloxy)-3-propan-2-yloxypentane
CID 91025407
[2-Methyl-4-(2-methylbutan-2-yloxy)butan-2-yl] 2-methylsulfanylacetate
CID 91537600
O-ethyl (3-ethoxy-3-methylbutyl)sulfanylmethanethioate
CID 121263274
3-Methyl-3-[3-methyl-3-(3-methylbutoxy)butoxy]butane-1-thiol
CID 121265028
2-(2-Methyl-4-propan-2-yloxybutan-2-yl)oxyethanethiol
CID 121265162
S-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] ethanethioate
CID 123198674
5,5-Dimethyl-7-methylsulfanyl-1,4-dioxepane
CID 123278904

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(2-methylsulfanylethoxy)butane?
The IUPAC name of 3-methoxy-3-methyl-1-(2-methylsulfanylethoxy)butane (CID 123384203) is 3-methoxy-3-methyl-1-(2-methylsulfanylethoxy)butane.
What is the SMILES notation for 3-methoxy-3-methyl-1-(2-methylsulfanylethoxy)butane?
The canonical SMILES for 3-methoxy-3-methyl-1-(2-methylsulfanylethoxy)butane is COC(C)(C)CCOCCSC.
What is the InChIKey of 3-methoxy-3-methyl-1-(2-methylsulfanylethoxy)butane?
The InChIKey is CFCLCXIBKPYLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2S/c1-9(2,10-3)5-6-11-7-8-12-4/h5-8H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(2-methylsulfanylethoxy)butane?
3-methoxy-3-methyl-1-(2-methylsulfanylethoxy)butane has a molecular weight of 192.32 g/mol, XLogP of 2.18, 7 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-(2-methylsulfanylethoxy)butane is sourced from PubChem (CID 123384203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).