3,4-Dimethyl-2-hexene
TL;DR: 3,4-Dimethyl-2-hexene (CAS 19550-82-4) is a chemical compound with molecular formula CCC(C)C(=CC)C and molecular weight 112.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethylhex-2-ene
Also Known As: 3,4-DIMETHYL-2-HEXENE, 2-Hexene, 3,4-dimethyl-, 3,4-DIMETHYLHEX-2-ENE, (2E)-3,4-Dimethyl-2-hexene, 3,4-Dimethyl-2-hexene (cis,trans)
| Molecular Formula | CCC(C)C(=CC)C |
|---|---|
| Molecular Weight | 112.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.1252 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 19550-82-4 |
|---|---|
| SMILES | CCC(C)C(=CC)C |
| InChIKey | FMNLVKMLDPGPRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethyl-2-hexene (CAS 19550-82-4), with molecular formula CCC(C)C(=CC)C and molecular weight 112.13 g/mol. IUPAC: 3,4-dimethylhex-2-ene.
Chemical Property Profile of 3,4-Dimethyl-2-hexene
Property Insights of 3,4-Dimethyl-2-hexene
The XLogP value of 3.6 indicates that 3,4-Dimethyl-2-hexene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4-Dimethyl-2-hexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethyl-2-hexene 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 3,4-Dimethyl-2-hexene?
The CAS number of 3,4-Dimethyl-2-hexene is 19550-82-4.
What is the molecular formula of 3,4-Dimethyl-2-hexene?
The molecular formula of 3,4-Dimethyl-2-hexene is CCC(C)C(=CC)C.
What is the molecular weight of 3,4-Dimethyl-2-hexene?
The molecular weight of 3,4-Dimethyl-2-hexene is 112.13 g/mol.
Where can I buy 3,4-Dimethyl-2-hexene?
You can request a quote for 3,4-Dimethyl-2-hexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethyl-2-hexene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyl-2-hexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.