3-methoxy-3-methyl-1-methylsulfanylbutane

C7H16OS — CID 130978752

IUPAC3-methoxy-3-methyl-1-methylsulfanylbutane
SMILESCOC(C)(C)CCSC
InChIInChI=1S/C7H16OS/c1-7(2,8-3)5-6-9-4/h5-6H2,1-4H3
InChIKeyGJZHUNKQULWETM-UHFFFAOYSA-N
MW148.27 g/mol
LogP2.16
Rot. Bonds4

About 3-methoxy-3-methyl-1-methylsulfanylbutane

3-methoxy-3-methyl-1-methylsulfanylbutane (PubChem CID 130978752) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-methylsulfanylbutane.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-methylsulfanylbutane
PubChem CID130978752
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name3-methoxy-3-methyl-1-methylsulfanylbutane
SMILESCOC(C)(C)CCSC
InChIInChI=1S/C7H16OS/c1-7(2,8-3)5-6-9-4/h5-6H2,1-4H3
InChIKeyGJZHUNKQULWETM-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-methylsulfanylbutane?
The IUPAC name of 3-methoxy-3-methyl-1-methylsulfanylbutane (CID 130978752) is 3-methoxy-3-methyl-1-methylsulfanylbutane.
What is the SMILES notation for 3-methoxy-3-methyl-1-methylsulfanylbutane?
The canonical SMILES for 3-methoxy-3-methyl-1-methylsulfanylbutane is COC(C)(C)CCSC.
What is the InChIKey of 3-methoxy-3-methyl-1-methylsulfanylbutane?
The InChIKey is GJZHUNKQULWETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-7(2,8-3)5-6-9-4/h5-6H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-methylsulfanylbutane?
3-methoxy-3-methyl-1-methylsulfanylbutane has a molecular weight of 148.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-methylsulfanylbutane is sourced from PubChem (CID 130978752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).