trans-5-Methyl-1,3-hexadiene
TL;DR: trans-5-Methyl-1,3-hexadiene (CAS 2783-10-0) 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.
(3E)-5-methylhexa-1,3-diene
Also Known As: 5-METHYL-1,3-HEXADIENE, (3E)-5-methylhexa-1,3-diene, trans-5-Methyl-1,3-hexadiene, 5-methylhexa-1,3-diene, 5-Methyl-5-hexenoic acid
| Molecular Formula | C7H12 |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 2.3846 |
| 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 | 68.1075 |
Chemical Identifiers
| CAS Number | 2783-10-0 |
|---|---|
| SMILES | CC(C)/C=C/C=C |
Product Overview
trans-5-Methyl-1,3-hexadiene (CAS 2783-10-0), with molecular formula C7H12 and molecular weight 96.09 g/mol. IUPAC: (3E)-5-methylhexa-1,3-diene.
Chemical Property Profile of trans-5-Methyl-1,3-hexadiene
Property Insights of trans-5-Methyl-1,3-hexadiene
The XLogP value of 2.3846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-5-Methyl-1,3-hexadiene. With a topological polar surface area (TPSA) of 0.0 Ų, trans-5-Methyl-1,3-hexadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-5-Methyl-1,3-hexadiene 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 trans-5-Methyl-1,3-hexadiene?
The CAS number of trans-5-Methyl-1,3-hexadiene is 2783-10-0.
What is the molecular formula of trans-5-Methyl-1,3-hexadiene?
The molecular formula of trans-5-Methyl-1,3-hexadiene is C7H12.
What is the molecular weight of trans-5-Methyl-1,3-hexadiene?
The molecular weight of trans-5-Methyl-1,3-hexadiene is 96.09 g/mol.
Where can I buy trans-5-Methyl-1,3-hexadiene?
You can request a quote for trans-5-Methyl-1,3-hexadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-5-Methyl-1,3-hexadiene?
Yes, KEHONG BIO provides custom synthesis services for trans-5-Methyl-1,3-hexadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.