2,6,6-Trimethyl-1-heptene
TL;DR: 2,6,6-Trimethyl-1-heptene (CAS 872513-20-7) is a chemical compound with molecular formula C10H20 and molecular weight 140.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,6-trimethylhept-1-ene
Also Known As: 2,6,6-Trimethyl-1-heptene, 2,6,6-trimethylhept-1-ene, 1-Heptene, 2,6,6-trimethyl-, 2,6,6-Trimethyl-1-heptene #
| Molecular Formula | C10H20 |
|---|---|
| Molecular Weight | 140.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.1565 |
| Heavy Atoms | 10 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 872513-20-7 |
|---|---|
| SMILES | CC(=C)CCCC(C)(C)C |
| InChIKey | IFCGIPCIRFURCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6,6-Trimethyl-1-heptene (CAS 872513-20-7), with molecular formula C10H20 and molecular weight 140.16 g/mol. IUPAC: 2,6,6-trimethylhept-1-ene.
Chemical Property Profile of 2,6,6-Trimethyl-1-heptene
Property Insights of 2,6,6-Trimethyl-1-heptene
The XLogP value of 4.8 indicates that 2,6,6-Trimethyl-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, 2,6,6-Trimethyl-1-heptene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,6-Trimethyl-1-heptene 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 2,6,6-Trimethyl-1-heptene?
The CAS number of 2,6,6-Trimethyl-1-heptene is 872513-20-7.
What is the molecular formula of 2,6,6-Trimethyl-1-heptene?
The molecular formula of 2,6,6-Trimethyl-1-heptene is C10H20.
What is the molecular weight of 2,6,6-Trimethyl-1-heptene?
The molecular weight of 2,6,6-Trimethyl-1-heptene is 140.16 g/mol.
Where can I buy 2,6,6-Trimethyl-1-heptene?
You can request a quote for 2,6,6-Trimethyl-1-heptene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,6-Trimethyl-1-heptene?
Yes, KEHONG BIO provides custom synthesis services for 2,6,6-Trimethyl-1-heptene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.