(E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene

C9H16S — CID 143080531

IUPAC(E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene
SMILESC/C=C/C(=C\SC)C(C)C
InChIInChI=1S/C9H16S/c1-5-6-9(7-10-4)8(2)3/h5-8H,1-4H3/b6-5+,9-7+
InChIKeyPCEKRJASLBWTAT-SBIWHPGTSA-N
MW156.29 g/mol
LogP3.47
Rot. Bonds3

About (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene

(E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene (PubChem CID 143080531) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene.

Molecular Properties

Compound Name(E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene
PubChem CID143080531
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name(E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene
SMILESC/C=C/C(=C\SC)C(C)C
InChIInChI=1S/C9H16S/c1-5-6-9(7-10-4)8(2)3/h5-8H,1-4H3/b6-5+,9-7+
InChIKeyPCEKRJASLBWTAT-SBIWHPGTSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene?
The IUPAC name of (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene (CID 143080531) is (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene.
What is the SMILES notation for (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene?
The canonical SMILES for (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene is C/C=C/C(=C\SC)C(C)C.
What is the InChIKey of (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene?
The InChIKey is PCEKRJASLBWTAT-SBIWHPGTSA-N. The full InChI is InChI=1S/C9H16S/c1-5-6-9(7-10-4)8(2)3/h5-8H,1-4H3/b6-5+,9-7+.
What are the key properties of (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene?
(E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene has a molecular weight of 156.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene is sourced from PubChem (CID 143080531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).