2,4,4,6,6-Pentamethyl-2-heptene
TL;DR: 2,4,4,6,6-Pentamethyl-2-heptene (CAS 39761-68-7) is a chemical compound with molecular formula C12H24 and molecular weight 168.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4,6,6-pentamethylhept-2-ene
Also Known As: TRIISOBUTYLENE, Triisobutylen, Isobutene trimer, 2,4,4,6,6-Pentamethylhept-2-ene, Isobutylene Trimer
| Molecular Formula | C12H24 |
|---|---|
| Molecular Weight | 168.19 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.1878 |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
| Melting Point | -76.0 °C |
| Boiling Point | 177.0 °C at 760 mmHg |
| Density | 0.77 - Less dense than water; will float |
| Vapor Pressure | 3.9 mmHg |
Chemical Identifiers
| CAS Number | 39761-68-7 |
|---|---|
| SMILES | CC(=CC(C)(C)CC(C)(C)C)C |
| InChIKey | DRHABPMHZRIRAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,4,6,6-Pentamethyl-2-heptene (CAS 39761-68-7), with molecular formula C12H24 and molecular weight 168.19 g/mol. IUPAC: 2,4,4,6,6-pentamethylhept-2-ene.
Chemical Property Profile of 2,4,4,6,6-Pentamethyl-2-heptene
Property Insights of 2,4,4,6,6-Pentamethyl-2-heptene
The XLogP value of 5.3 indicates that 2,4,4,6,6-Pentamethyl-2-heptene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4,4,6,6-Pentamethyl-2-heptene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4,6,6-Pentamethyl-2-heptene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,4,6,6-Pentamethyl-2-heptene?
The CAS number of 2,4,4,6,6-Pentamethyl-2-heptene is 39761-68-7.
What is the molecular formula of 2,4,4,6,6-Pentamethyl-2-heptene?
The molecular formula of 2,4,4,6,6-Pentamethyl-2-heptene is C12H24.
What is the molecular weight of 2,4,4,6,6-Pentamethyl-2-heptene?
The molecular weight of 2,4,4,6,6-Pentamethyl-2-heptene is 168.19 g/mol.
Where can I buy 2,4,4,6,6-Pentamethyl-2-heptene?
You can request a quote for 2,4,4,6,6-Pentamethyl-2-heptene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4,6,6-Pentamethyl-2-heptene?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4,6,6-Pentamethyl-2-heptene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.