1,5-Hexadiene, 3-methyl-
TL;DR: 1,5-Hexadiene, 3-methyl- (CAS 1541-33-9) is a chemical compound with molecular formula CC(CC=C)C=C and molecular weight 96.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylhexa-1,5-diene
Also Known As: 3-Methyl-1,5-hexadiene, 3-methylhexa-1,5-diene, 1,5-Hexadiene, 3-methyl-, 1,5-Hexadiene,3-methyl-, 1, 3-methyl-
| Molecular Formula | CC(CC=C)C=C |
|---|---|
| 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 | 3 |
| Exact Mass | 96.0939 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 1541-33-9 |
|---|---|
| SMILES | CC(CC=C)C=C |
| InChIKey | JXENLILXUMZMFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Hexadiene, 3-methyl- (CAS 1541-33-9), with molecular formula CC(CC=C)C=C and molecular weight 96.09 g/mol. IUPAC: 3-methylhexa-1,5-diene.
Chemical Property Profile of 1,5-Hexadiene, 3-methyl-
Property Insights of 1,5-Hexadiene, 3-methyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Hexadiene, 3-methyl-. With a topological polar surface area (TPSA) of 0.0 Ų, 1,5-Hexadiene, 3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Hexadiene, 3-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 1,5-Hexadiene, 3-methyl-?
The CAS number of 1,5-Hexadiene, 3-methyl- is 1541-33-9.
What is the molecular formula of 1,5-Hexadiene, 3-methyl-?
The molecular formula of 1,5-Hexadiene, 3-methyl- is CC(CC=C)C=C.
What is the molecular weight of 1,5-Hexadiene, 3-methyl-?
The molecular weight of 1,5-Hexadiene, 3-methyl- is 96.09 g/mol.
Where can I buy 1,5-Hexadiene, 3-methyl-?
You can request a quote for 1,5-Hexadiene, 3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Hexadiene, 3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Hexadiene, 3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.