4-methyl-3-(methylsulfanylmethylidene)hex-1-ene

C9H16S — CID 90755448

IUPAC4-methyl-3-(methylsulfanylmethylidene)hex-1-ene
SMILESC=CC(=CSC)C(C)CC
InChIInChI=1S/C9H16S/c1-5-8(3)9(6-2)7-10-4/h6-8H,2,5H2,1,3-4H3
InChIKeyWCSMKAQOKHGIMF-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.47
Rot. Bonds4

About 4-methyl-3-(methylsulfanylmethylidene)hex-1-ene

4-methyl-3-(methylsulfanylmethylidene)hex-1-ene (PubChem CID 90755448) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 4-methyl-3-(methylsulfanylmethylidene)hex-1-ene.

Molecular Properties

Compound Name4-methyl-3-(methylsulfanylmethylidene)hex-1-ene
PubChem CID90755448
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name4-methyl-3-(methylsulfanylmethylidene)hex-1-ene
SMILESC=CC(=CSC)C(C)CC
InChIInChI=1S/C9H16S/c1-5-8(3)9(6-2)7-10-4/h6-8H,2,5H2,1,3-4H3
InChIKeyWCSMKAQOKHGIMF-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylsulfanylmethylidene)hex-1-ene?
The IUPAC name of 4-methyl-3-(methylsulfanylmethylidene)hex-1-ene (CID 90755448) is 4-methyl-3-(methylsulfanylmethylidene)hex-1-ene.
What is the SMILES notation for 4-methyl-3-(methylsulfanylmethylidene)hex-1-ene?
The canonical SMILES for 4-methyl-3-(methylsulfanylmethylidene)hex-1-ene is C=CC(=CSC)C(C)CC.
What is the InChIKey of 4-methyl-3-(methylsulfanylmethylidene)hex-1-ene?
The InChIKey is WCSMKAQOKHGIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-5-8(3)9(6-2)7-10-4/h6-8H,2,5H2,1,3-4H3.
What are the key properties of 4-methyl-3-(methylsulfanylmethylidene)hex-1-ene?
4-methyl-3-(methylsulfanylmethylidene)hex-1-ene has a molecular weight of 156.29 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylsulfanylmethylidene)hex-1-ene is sourced from PubChem (CID 90755448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).