1-methoxy-3-methyl-3-methylsulfanylbutane

C7H16OS — CID 102301237

IUPAC1-methoxy-3-methyl-3-methylsulfanylbutane
SMILESCOCCC(C)(C)SC
InChIInChI=1S/C7H16OS/c1-7(2,9-4)5-6-8-3/h5-6H2,1-4H3
InChIKeyQENZRLKQWNIGLU-UHFFFAOYSA-N
MW148.27 g/mol
LogP2.16
Rot. Bonds4

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

1-methoxy-3-methyl-3-methylsulfanylbutane (PubChem CID 102301237) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 1-methoxy-3-methyl-3-methylsulfanylbutane.

Molecular Properties

Compound Name1-methoxy-3-methyl-3-methylsulfanylbutane
PubChem CID102301237
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name1-methoxy-3-methyl-3-methylsulfanylbutane
SMILESCOCCC(C)(C)SC
InChIInChI=1S/C7H16OS/c1-7(2,9-4)5-6-8-3/h5-6H2,1-4H3
InChIKeyQENZRLKQWNIGLU-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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Related Compounds

4,4-Dimethyl-1,3-oxathiane
CID 18539818
1-Ethoxy-4-methylsulfanylbutane
CID 54104261
Butyraldehyde dimethyl thioacetal
CID 129804412
1-Ethylsulfanyl-4-methoxybutane
CID 54469184
1-Methoxy-4-methylsulfanylbutane
CID 88910080
1-Methoxy-3-methyl-2-methylsulfanylbutane
CID 90861803
3-Methyl-1-[(2-methylpropan-2-yl)oxy]-3-methylsulfanylbutane
CID 123573574
1-(Methoxymethyl)-1-methylsulfanylcyclopropane
CID 123710643
1-(3-Methylbutoxymethylsulfanyl)pentane
CID 123998581
1-Methoxy-2-methyl-4-methylsulfanylbutane
CID 126576448
2-(Ethoxymethylsulfanyl)butane
CID 141009488
1-Methoxy-2-(methylsulfanylmethyl)butane
CID 142185348

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-3-methylsulfanylbutane?
The IUPAC name of 1-methoxy-3-methyl-3-methylsulfanylbutane (CID 102301237) is 1-methoxy-3-methyl-3-methylsulfanylbutane.
What is the SMILES notation for 1-methoxy-3-methyl-3-methylsulfanylbutane?
The canonical SMILES for 1-methoxy-3-methyl-3-methylsulfanylbutane is COCCC(C)(C)SC.
What is the InChIKey of 1-methoxy-3-methyl-3-methylsulfanylbutane?
The InChIKey is QENZRLKQWNIGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-7(2,9-4)5-6-8-3/h5-6H2,1-4H3.
What are the key properties of 1-methoxy-3-methyl-3-methylsulfanylbutane?
1-methoxy-3-methyl-3-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 1-methoxy-3-methyl-3-methylsulfanylbutane is sourced from PubChem (CID 102301237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).