3,7-dimethylocta-1,6-diene

C10H17+ — CID 54736965

IUPAC3,7-dimethylocta-1,6-diene
SMILESC=C[C+](C)CCC=C(C)C
InChIInChI=1S/C10H17/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,6,8H2,2-4H3/q+1
InChIKeyALJUYVPOTLLKHJ-UHFFFAOYSA-N
MW137.25 g/mol
LogP3.51
Rot. Bonds4

About 3,7-dimethylocta-1,6-diene

3,7-dimethylocta-1,6-diene (PubChem CID 54736965) has the molecular formula C10H17+ and a molecular weight of 137.25 g/mol. Its IUPAC name is 3,7-dimethylocta-1,6-diene.

Molecular Properties

Compound Name3,7-dimethylocta-1,6-diene
PubChem CID54736965
Molecular FormulaC10H17+
Molecular Weight137.25 g/mol
Exact Mass137.13
IUPAC Name3,7-dimethylocta-1,6-diene
SMILESC=C[C+](C)CCC=C(C)C
InChIInChI=1S/C10H17/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,6,8H2,2-4H3/q+1
InChIKeyALJUYVPOTLLKHJ-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.25
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,7-dimethylocta-1,6-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 3,7-dimethylocta-1,6-diene?
The IUPAC name of 3,7-dimethylocta-1,6-diene (CID 54736965) is 3,7-dimethylocta-1,6-diene.
What is the SMILES notation for 3,7-dimethylocta-1,6-diene?
The canonical SMILES for 3,7-dimethylocta-1,6-diene is C=C[C+](C)CCC=C(C)C.
What is the InChIKey of 3,7-dimethylocta-1,6-diene?
The InChIKey is ALJUYVPOTLLKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,6,8H2,2-4H3/q+1.
What are the key properties of 3,7-dimethylocta-1,6-diene?
3,7-dimethylocta-1,6-diene has a molecular weight of 137.25 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylocta-1,6-diene is sourced from PubChem (CID 54736965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).