(2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene

C10H16S — CID 178103971

IUPAC(2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene
SMILESC/C=C\C(=C/C(C)=C/C)SC
InChIInChI=1S/C10H16S/c1-5-7-10(11-4)8-9(3)6-2/h5-8H,1-4H3/b7-5-,9-6+,10-8+
InChIKeyBSXYQFWEZXPNRG-BZDCPZFQSA-N
MW168.30 g/mol
LogP3.78
Rot. Bonds3

About (2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene

(2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene (PubChem CID 178103971) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is (2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene.

Molecular Properties

Compound Name(2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene
PubChem CID178103971
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name(2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene
SMILESC/C=C\C(=C/C(C)=C/C)SC
InChIInChI=1S/C10H16S/c1-5-7-10(11-4)8-9(3)6-2/h5-8H,1-4H3/b7-5-,9-6+,10-8+
InChIKeyBSXYQFWEZXPNRG-BZDCPZFQSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.78
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 (2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene?
The IUPAC name of (2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene (CID 178103971) is (2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene.
What is the SMILES notation for (2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene?
The canonical SMILES for (2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene is C/C=C\C(=C/C(C)=C/C)SC.
What is the InChIKey of (2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene?
The InChIKey is BSXYQFWEZXPNRG-BZDCPZFQSA-N. The full InChI is InChI=1S/C10H16S/c1-5-7-10(11-4)8-9(3)6-2/h5-8H,1-4H3/b7-5-,9-6+,10-8+.
What are the key properties of (2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene?
(2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene has a molecular weight of 168.30 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene is sourced from PubChem (CID 178103971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).