2-Methylhepta-1,5-diene
TL;DR: 2-Methylhepta-1,5-diene (CAS 41044-63-7) is a chemical compound with molecular formula C8H14 and molecular weight 110.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylhepta-1,5-diene
Also Known As: 2-methylhepta-1,5-diene, 2-METHYL-1,5-HEPTADIENE, trans-2-Methyl-1,5-heptadiene, 1,5-Heptadiene, 2-methyl-, cis-2-Methyl-1,5-heptadien
| Molecular Formula | C8H14 |
|---|---|
| Molecular Weight | 110.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 110.10955 |
| Heavy Atoms | 8 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 41044-63-7 |
|---|---|
| SMILES | CC=CCCC(=C)C |
| InChIKey | LXKRFDPUBWVICN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylhepta-1,5-diene (CAS 41044-63-7), with molecular formula C8H14 and molecular weight 110.11 g/mol. IUPAC: 2-methylhepta-1,5-diene.
Chemical Property Profile of 2-Methylhepta-1,5-diene
Property Insights of 2-Methylhepta-1,5-diene
The XLogP value of 3.3 indicates that 2-Methylhepta-1,5-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Methylhepta-1,5-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylhepta-1,5-diene 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 2-Methylhepta-1,5-diene?
The CAS number of 2-Methylhepta-1,5-diene is 41044-63-7.
What is the molecular formula of 2-Methylhepta-1,5-diene?
The molecular formula of 2-Methylhepta-1,5-diene is C8H14.
What is the molecular weight of 2-Methylhepta-1,5-diene?
The molecular weight of 2-Methylhepta-1,5-diene is 110.11 g/mol.
Where can I buy 2-Methylhepta-1,5-diene?
You can request a quote for 2-Methylhepta-1,5-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylhepta-1,5-diene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylhepta-1,5-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.