(4E,7E)-4,6,7-trimethylnona-1,4,7-triene

C12H20 — CID 20695244

IUPAC(4E,7E)-4,6,7-trimethylnona-1,4,7-triene
SMILESC=CC/C(C)=C/C(C)/C(C)=C/C
InChIInChI=1S/C12H20/c1-6-8-10(3)9-12(5)11(4)7-2/h6-7,9,12H,1,8H2,2-5H3/b10-9+,11-7+
InChIKeyUJNBTHRAMFDYEQ-FVSXOECNSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds4

About (4E,7E)-4,6,7-trimethylnona-1,4,7-triene

(4E,7E)-4,6,7-trimethylnona-1,4,7-triene (PubChem CID 20695244) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (4E,7E)-4,6,7-trimethylnona-1,4,7-triene.

Molecular Properties

Compound Name(4E,7E)-4,6,7-trimethylnona-1,4,7-triene
PubChem CID20695244
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(4E,7E)-4,6,7-trimethylnona-1,4,7-triene
SMILESC=CC/C(C)=C/C(C)/C(C)=C/C
InChIInChI=1S/C12H20/c1-6-8-10(3)9-12(5)11(4)7-2/h6-7,9,12H,1,8H2,2-5H3/b10-9+,11-7+
InChIKeyUJNBTHRAMFDYEQ-FVSXOECNSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4E,7E)-4,6,7-trimethylnona-1,4,7-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,7E)-4,6,7-trimethylnona-1,4,7-triene?
The IUPAC name of (4E,7E)-4,6,7-trimethylnona-1,4,7-triene (CID 20695244) is (4E,7E)-4,6,7-trimethylnona-1,4,7-triene.
What is the SMILES notation for (4E,7E)-4,6,7-trimethylnona-1,4,7-triene?
The canonical SMILES for (4E,7E)-4,6,7-trimethylnona-1,4,7-triene is C=CC/C(C)=C/C(C)/C(C)=C/C.
What is the InChIKey of (4E,7E)-4,6,7-trimethylnona-1,4,7-triene?
The InChIKey is UJNBTHRAMFDYEQ-FVSXOECNSA-N. The full InChI is InChI=1S/C12H20/c1-6-8-10(3)9-12(5)11(4)7-2/h6-7,9,12H,1,8H2,2-5H3/b10-9+,11-7+.
What are the key properties of (4E,7E)-4,6,7-trimethylnona-1,4,7-triene?
(4E,7E)-4,6,7-trimethylnona-1,4,7-triene has a molecular weight of 164.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7E)-4,6,7-trimethylnona-1,4,7-triene is sourced from PubChem (CID 20695244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).