(3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene

C12H22S — CID 22798321

IUPAC(3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene
SMILESCC/C=C/C(C/C(C)=C/CC)SC
InChIInChI=1S/C12H22S/c1-5-7-9-12(13-4)10-11(3)8-6-2/h7-9,12H,5-6,10H2,1-4H3/b9-7+,11-8+
InChIKeyVIAVYGAURXVIHO-BIZFVBGRSA-N
MW198.37 g/mol
LogP4.43
Rot. Bonds6

About (3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene

(3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene (PubChem CID 22798321) has the molecular formula C12H22S and a molecular weight of 198.37 g/mol. Its IUPAC name is (3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene.

Molecular Properties

Compound Name(3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene
PubChem CID22798321
Molecular FormulaC12H22S
Molecular Weight198.37 g/mol
Exact Mass198.14
IUPAC Name(3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene
SMILESCC/C=C/C(C/C(C)=C/CC)SC
InChIInChI=1S/C12H22S/c1-5-7-9-12(13-4)10-11(3)8-6-2/h7-9,12H,5-6,10H2,1-4H3/b9-7+,11-8+
InChIKeyVIAVYGAURXVIHO-BIZFVBGRSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene?
The IUPAC name of (3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene (CID 22798321) is (3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene.
What is the SMILES notation for (3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene?
The canonical SMILES for (3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene is CC/C=C/C(C/C(C)=C/CC)SC.
What is the InChIKey of (3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene?
The InChIKey is VIAVYGAURXVIHO-BIZFVBGRSA-N. The full InChI is InChI=1S/C12H22S/c1-5-7-9-12(13-4)10-11(3)8-6-2/h7-9,12H,5-6,10H2,1-4H3/b9-7+,11-8+.
What are the key properties of (3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene?
(3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene has a molecular weight of 198.37 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-4-methyl-6-methylsulfanyldeca-3,7-diene is sourced from PubChem (CID 22798321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).