Hexadiene, 2-methyl-
TL;DR: Hexadiene, 2-methyl- (CAS 32763-70-5) is a chemical compound with molecular formula C7H12 and molecular weight 96.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylhexa-1,3-diene
Also Known As: hexadiene, 2-methyl-, 5-methylhexa-1,3-diene, 1,3-Hexadiene,5-methyl-, trans-5-Methyl-1,3-hexadiene, 5-METHYL-1,3-HEXADIENE
| Molecular Formula | C7H12 |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.0939 |
| Heavy Atoms | 7 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 32763-70-5 |
|---|---|
| SMILES | CC(C)C=CC=C |
| InChIKey | HQLSCIPCIFAMOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexadiene, 2-methyl- (CAS 32763-70-5), with molecular formula C7H12 and molecular weight 96.09 g/mol. IUPAC: 5-methylhexa-1,3-diene.
Chemical Property Profile of Hexadiene, 2-methyl-
Property Insights of Hexadiene, 2-methyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexadiene, 2-methyl-. With a topological polar surface area (TPSA) of 0.0 Ų, Hexadiene, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadiene, 2-methyl- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexadiene, 2-methyl-?
The CAS number of Hexadiene, 2-methyl- is 32763-70-5.
What is the molecular formula of Hexadiene, 2-methyl-?
The molecular formula of Hexadiene, 2-methyl- is C7H12.
What is the molecular weight of Hexadiene, 2-methyl-?
The molecular weight of Hexadiene, 2-methyl- is 96.09 g/mol.
Where can I buy Hexadiene, 2-methyl-?
You can request a quote for Hexadiene, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadiene, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Hexadiene, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.