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

C12H20S — CID 178103868

IUPAC(2E,4E,6Z)-3-methyl-4-methylsulfanyldeca-2,4,6-triene
SMILESC/C=C(C)/C(=C\C=C/CCC)SC
InChIInChI=1S/C12H20S/c1-5-7-8-9-10-12(13-4)11(3)6-2/h6,8-10H,5,7H2,1-4H3/b9-8-,11-6+,12-10+
InChIKeyIIABOLUOCNXQHQ-RWHBCXHKSA-N
MW196.36 g/mol
LogP4.56
Rot. Bonds5

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

(2E,4E,6Z)-3-methyl-4-methylsulfanyldeca-2,4,6-triene (PubChem CID 178103868) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is (2E,4E,6Z)-3-methyl-4-methylsulfanyldeca-2,4,6-triene.

Molecular Properties

Compound Name(2E,4E,6Z)-3-methyl-4-methylsulfanyldeca-2,4,6-triene
PubChem CID178103868
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name(2E,4E,6Z)-3-methyl-4-methylsulfanyldeca-2,4,6-triene
SMILESC/C=C(C)/C(=C\C=C/CCC)SC
InChIInChI=1S/C12H20S/c1-5-7-8-9-10-12(13-4)11(3)6-2/h6,8-10H,5,7H2,1-4H3/b9-8-,11-6+,12-10+
InChIKeyIIABOLUOCNXQHQ-RWHBCXHKSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.56
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-4-methylsulfanyldeca-2,4,6-triene?
The IUPAC name of (2E,4E,6Z)-3-methyl-4-methylsulfanyldeca-2,4,6-triene (CID 178103868) is (2E,4E,6Z)-3-methyl-4-methylsulfanyldeca-2,4,6-triene.
What is the SMILES notation for (2E,4E,6Z)-3-methyl-4-methylsulfanyldeca-2,4,6-triene?
The canonical SMILES for (2E,4E,6Z)-3-methyl-4-methylsulfanyldeca-2,4,6-triene is C/C=C(C)/C(=C\C=C/CCC)SC.
What is the InChIKey of (2E,4E,6Z)-3-methyl-4-methylsulfanyldeca-2,4,6-triene?
The InChIKey is IIABOLUOCNXQHQ-RWHBCXHKSA-N. The full InChI is InChI=1S/C12H20S/c1-5-7-8-9-10-12(13-4)11(3)6-2/h6,8-10H,5,7H2,1-4H3/b9-8-,11-6+,12-10+.
What are the key properties of (2E,4E,6Z)-3-methyl-4-methylsulfanyldeca-2,4,6-triene?
(2E,4E,6Z)-3-methyl-4-methylsulfanyldeca-2,4,6-triene has a molecular weight of 196.36 g/mol, XLogP of 4.56, 5 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-4-methylsulfanyldeca-2,4,6-triene is sourced from PubChem (CID 178103868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).