(2E,6E)-4,5-dimethylocta-2,6-diene

C10H18 — CID 5365848

IUPAC(2E,6E)-4,5-dimethylocta-2,6-diene
SMILESC/C=C/C(C)C(C)/C=C/C
InChIInChI=1S/C10H18/c1-5-7-9(3)10(4)8-6-2/h5-10H,1-4H3/b7-5+,8-6+
InChIKeyJASAKDWEYSDIHI-KQQUZDAGSA-N
MW138.25 g/mol
LogP3.41
Rot. Bonds3

About (2E,6E)-4,5-dimethylocta-2,6-diene

(2E,6E)-4,5-dimethylocta-2,6-diene (PubChem CID 5365848) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (2E,6E)-4,5-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E,6E)-4,5-dimethylocta-2,6-diene
PubChem CID5365848
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(2E,6E)-4,5-dimethylocta-2,6-diene
SMILESC/C=C/C(C)C(C)/C=C/C
InChIInChI=1S/C10H18/c1-5-7-9(3)10(4)8-6-2/h5-10H,1-4H3/b7-5+,8-6+
InChIKeyJASAKDWEYSDIHI-KQQUZDAGSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2E,6E)-4,5-dimethylocta-2,6-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 (2E,6E)-4,5-dimethylocta-2,6-diene?
The IUPAC name of (2E,6E)-4,5-dimethylocta-2,6-diene (CID 5365848) is (2E,6E)-4,5-dimethylocta-2,6-diene.
What is the SMILES notation for (2E,6E)-4,5-dimethylocta-2,6-diene?
The canonical SMILES for (2E,6E)-4,5-dimethylocta-2,6-diene is C/C=C/C(C)C(C)/C=C/C.
What is the InChIKey of (2E,6E)-4,5-dimethylocta-2,6-diene?
The InChIKey is JASAKDWEYSDIHI-KQQUZDAGSA-N. The full InChI is InChI=1S/C10H18/c1-5-7-9(3)10(4)8-6-2/h5-10H,1-4H3/b7-5+,8-6+.
What are the key properties of (2E,6E)-4,5-dimethylocta-2,6-diene?
(2E,6E)-4,5-dimethylocta-2,6-diene has a molecular weight of 138.25 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-4,5-dimethylocta-2,6-diene is sourced from PubChem (CID 5365848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).