(3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene

C15H26 — CID 142155642

IUPAC(3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene
SMILESC=C(C)/C=C\C=C(/C)CCCCC(C)C
InChIInChI=1S/C15H26/c1-13(2)9-6-7-11-15(5)12-8-10-14(3)4/h8,10,12-13H,3,6-7,9,11H2,1-2,4-5H3/b10-8-,15-12+
InChIKeyYLVPKQYCQAGTKD-UADWGJSRSA-N
MW206.37 g/mol
LogP5.28
Rot. Bonds7

About (3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene

(3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene (PubChem CID 142155642) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene
PubChem CID142155642
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene
SMILESC=C(C)/C=C\C=C(/C)CCCCC(C)C
InChIInChI=1S/C15H26/c1-13(2)9-6-7-11-15(5)12-8-10-14(3)4/h8,10,12-13H,3,6-7,9,11H2,1-2,4-5H3/b10-8-,15-12+
InChIKeyYLVPKQYCQAGTKD-UADWGJSRSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene 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 (3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene?
The IUPAC name of (3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene (CID 142155642) is (3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene?
The canonical SMILES for (3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene is C=C(C)/C=C\C=C(/C)CCCCC(C)C.
What is the InChIKey of (3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene?
The InChIKey is YLVPKQYCQAGTKD-UADWGJSRSA-N. The full InChI is InChI=1S/C15H26/c1-13(2)9-6-7-11-15(5)12-8-10-14(3)4/h8,10,12-13H,3,6-7,9,11H2,1-2,4-5H3/b10-8-,15-12+.
What are the key properties of (3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene?
(3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene has a molecular weight of 206.37 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene is sourced from PubChem (CID 142155642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).