(4E)-2,7-dimethylocta-2,4,6-triene

C10H16 — CID 11116127

IUPAC(4E)-2,7-dimethylocta-2,4,6-triene
SMILESCC(C)=C/C=C/C=C(C)C
InChIInChI=1S/C10H16/c1-9(2)7-5-6-8-10(3)4/h5-8H,1-4H3/b6-5+
InChIKeyUBFBTMRIJJRZOA-AATRIKPKSA-N
MW136.24 g/mol
LogP3.47
Rot. Bonds2

About (4E)-2,7-dimethylocta-2,4,6-triene

(4E)-2,7-dimethylocta-2,4,6-triene (PubChem CID 11116127) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (4E)-2,7-dimethylocta-2,4,6-triene.

Molecular Properties

Compound Name(4E)-2,7-dimethylocta-2,4,6-triene
PubChem CID11116127
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(4E)-2,7-dimethylocta-2,4,6-triene
SMILESCC(C)=C/C=C/C=C(C)C
InChIInChI=1S/C10H16/c1-9(2)7-5-6-8-10(3)4/h5-8H,1-4H3/b6-5+
InChIKeyUBFBTMRIJJRZOA-AATRIKPKSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4E)-2,7-dimethylocta-2,4,6-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 (4E)-2,7-dimethylocta-2,4,6-triene?
The IUPAC name of (4E)-2,7-dimethylocta-2,4,6-triene (CID 11116127) is (4E)-2,7-dimethylocta-2,4,6-triene.
What is the SMILES notation for (4E)-2,7-dimethylocta-2,4,6-triene?
The canonical SMILES for (4E)-2,7-dimethylocta-2,4,6-triene is CC(C)=C/C=C/C=C(C)C.
What is the InChIKey of (4E)-2,7-dimethylocta-2,4,6-triene?
The InChIKey is UBFBTMRIJJRZOA-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16/c1-9(2)7-5-6-8-10(3)4/h5-8H,1-4H3/b6-5+.
What are the key properties of (4E)-2,7-dimethylocta-2,4,6-triene?
(4E)-2,7-dimethylocta-2,4,6-triene has a molecular weight of 136.24 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2,7-dimethylocta-2,4,6-triene is sourced from PubChem (CID 11116127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).