2,4,4,6,6-Pentamethyl-1-heptene
TL;DR: 2,4,4,6,6-Pentamethyl-1-heptene (CAS 14031-86-8) 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-1-ene
Also Known As: 2,4,4,6,6-pentamethyl-1-heptene, 2,4,4,6,6-Pentamethylhept-1-ene, 1-Heptene, 2,4,4,6,6-pentamethyl-, 2,4,4,6,6-Pentamethylheptene-1, 2,4,4,6,6-pentamethyl-hept-1-ene
| Molecular Formula | C12H24 |
|---|---|
| Molecular Weight | 168.19 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.1878 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 14031-86-8 |
|---|---|
| SMILES | CC(=C)CC(C)(C)CC(C)(C)C |
| InChIKey | NSSBKMKRTGHAAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,4,6,6-Pentamethyl-1-heptene (CAS 14031-86-8), with molecular formula C12H24 and molecular weight 168.19 g/mol. IUPAC: 2,4,4,6,6-pentamethylhept-1-ene.
Chemical Property Profile of 2,4,4,6,6-Pentamethyl-1-heptene
Property Insights of 2,4,4,6,6-Pentamethyl-1-heptene
The XLogP value of 5.4 indicates that 2,4,4,6,6-Pentamethyl-1-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-1-heptene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4,6,6-Pentamethyl-1-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-1-heptene?
The CAS number of 2,4,4,6,6-Pentamethyl-1-heptene is 14031-86-8.
What is the molecular formula of 2,4,4,6,6-Pentamethyl-1-heptene?
The molecular formula of 2,4,4,6,6-Pentamethyl-1-heptene is C12H24.
What is the molecular weight of 2,4,4,6,6-Pentamethyl-1-heptene?
The molecular weight of 2,4,4,6,6-Pentamethyl-1-heptene is 168.19 g/mol.
Where can I buy 2,4,4,6,6-Pentamethyl-1-heptene?
You can request a quote for 2,4,4,6,6-Pentamethyl-1-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-1-heptene?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4,6,6-Pentamethyl-1-heptene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.