2-methyl-2-[(Z)-3-methylsulfanylprop-1-enoxy]propane

C8H16OS — CID 24972464

IUPAC2-methyl-2-[(Z)-3-methylsulfanylprop-1-enoxy]propane
SMILESCSC/C=C\OC(C)(C)C
InChIInChI=1S/C8H16OS/c1-8(2,3)9-6-5-7-10-4/h5-6H,7H2,1-4H3/b6-5-
InChIKeyZJHCNSVJGOAMMG-WAYWQWQTSA-N
MW160.28 g/mol
LogP2.68
Rot. Bonds3

About 2-methyl-2-[(Z)-3-methylsulfanylprop-1-enoxy]propane

2-methyl-2-[(Z)-3-methylsulfanylprop-1-enoxy]propane (PubChem CID 24972464) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-methyl-2-[(Z)-3-methylsulfanylprop-1-enoxy]propane.

Molecular Properties

Compound Name2-methyl-2-[(Z)-3-methylsulfanylprop-1-enoxy]propane
PubChem CID24972464
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-methyl-2-[(Z)-3-methylsulfanylprop-1-enoxy]propane
SMILESCSC/C=C\OC(C)(C)C
InChIInChI=1S/C8H16OS/c1-8(2,3)9-6-5-7-10-4/h5-6H,7H2,1-4H3/b6-5-
InChIKeyZJHCNSVJGOAMMG-WAYWQWQTSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(Z)-3-methylsulfanylprop-1-enoxy]propane?
The IUPAC name of 2-methyl-2-[(Z)-3-methylsulfanylprop-1-enoxy]propane (CID 24972464) is 2-methyl-2-[(Z)-3-methylsulfanylprop-1-enoxy]propane.
What is the SMILES notation for 2-methyl-2-[(Z)-3-methylsulfanylprop-1-enoxy]propane?
The canonical SMILES for 2-methyl-2-[(Z)-3-methylsulfanylprop-1-enoxy]propane is CSC/C=C\OC(C)(C)C.
What is the InChIKey of 2-methyl-2-[(Z)-3-methylsulfanylprop-1-enoxy]propane?
The InChIKey is ZJHCNSVJGOAMMG-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H16OS/c1-8(2,3)9-6-5-7-10-4/h5-6H,7H2,1-4H3/b6-5-.
What are the key properties of 2-methyl-2-[(Z)-3-methylsulfanylprop-1-enoxy]propane?
2-methyl-2-[(Z)-3-methylsulfanylprop-1-enoxy]propane has a molecular weight of 160.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(Z)-3-methylsulfanylprop-1-enoxy]propane is sourced from PubChem (CID 24972464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).