(2E,4Z)-6,6-dimethylhepta-2,4-diene

C9H16 — CID 58550662

IUPAC(2E,4Z)-6,6-dimethylhepta-2,4-diene
SMILESC/C=C/C=C\C(C)(C)C
InChIInChI=1S/C9H16/c1-5-6-7-8-9(2,3)4/h5-8H,1-4H3/b6-5+,8-7-
InChIKeyGKQLEZIWGSTOGT-MDAAKZFYSA-N
MW124.23 g/mol
LogP3.16
Rot. Bonds1

About (2E,4Z)-6,6-dimethylhepta-2,4-diene

(2E,4Z)-6,6-dimethylhepta-2,4-diene (PubChem CID 58550662) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (2E,4Z)-6,6-dimethylhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-6,6-dimethylhepta-2,4-diene
PubChem CID58550662
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(2E,4Z)-6,6-dimethylhepta-2,4-diene
SMILESC/C=C/C=C\C(C)(C)C
InChIInChI=1S/C9H16/c1-5-6-7-8-9(2,3)4/h5-8H,1-4H3/b6-5+,8-7-
InChIKeyGKQLEZIWGSTOGT-MDAAKZFYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2E,4Z)-6,6-dimethylhepta-2,4-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,4Z)-6,6-dimethylhepta-2,4-diene?
The IUPAC name of (2E,4Z)-6,6-dimethylhepta-2,4-diene (CID 58550662) is (2E,4Z)-6,6-dimethylhepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-6,6-dimethylhepta-2,4-diene?
The canonical SMILES for (2E,4Z)-6,6-dimethylhepta-2,4-diene is C/C=C/C=C\C(C)(C)C.
What is the InChIKey of (2E,4Z)-6,6-dimethylhepta-2,4-diene?
The InChIKey is GKQLEZIWGSTOGT-MDAAKZFYSA-N. The full InChI is InChI=1S/C9H16/c1-5-6-7-8-9(2,3)4/h5-8H,1-4H3/b6-5+,8-7-.
What are the key properties of (2E,4Z)-6,6-dimethylhepta-2,4-diene?
(2E,4Z)-6,6-dimethylhepta-2,4-diene has a molecular weight of 124.23 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6,6-dimethylhepta-2,4-diene is sourced from PubChem (CID 58550662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).