4-methoxy-2-methylsulfanylpent-2-ene

C7H14OS — CID 123603413

IUPAC4-methoxy-2-methylsulfanylpent-2-ene
SMILESCOC(C)C=C(C)SC
InChIInChI=1S/C7H14OS/c1-6(8-3)5-7(2)9-4/h5-6H,1-4H3
InChIKeyUAWZNCDUBJELPS-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.29
Rot. Bonds3

About 4-methoxy-2-methylsulfanylpent-2-ene

4-methoxy-2-methylsulfanylpent-2-ene (PubChem CID 123603413) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 4-methoxy-2-methylsulfanylpent-2-ene.

Molecular Properties

Compound Name4-methoxy-2-methylsulfanylpent-2-ene
PubChem CID123603413
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name4-methoxy-2-methylsulfanylpent-2-ene
SMILESCOC(C)C=C(C)SC
InChIInChI=1S/C7H14OS/c1-6(8-3)5-7(2)9-4/h5-6H,1-4H3
InChIKeyUAWZNCDUBJELPS-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylsulfanylpent-2-ene?
The IUPAC name of 4-methoxy-2-methylsulfanylpent-2-ene (CID 123603413) is 4-methoxy-2-methylsulfanylpent-2-ene.
What is the SMILES notation for 4-methoxy-2-methylsulfanylpent-2-ene?
The canonical SMILES for 4-methoxy-2-methylsulfanylpent-2-ene is COC(C)C=C(C)SC.
What is the InChIKey of 4-methoxy-2-methylsulfanylpent-2-ene?
The InChIKey is UAWZNCDUBJELPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-6(8-3)5-7(2)9-4/h5-6H,1-4H3.
What are the key properties of 4-methoxy-2-methylsulfanylpent-2-ene?
4-methoxy-2-methylsulfanylpent-2-ene has a molecular weight of 146.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylsulfanylpent-2-ene is sourced from PubChem (CID 123603413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).