3,3-Dimethyl-1-heptene
TL;DR: 3,3-Dimethyl-1-heptene (CAS 19549-89-4) is a chemical compound with molecular formula C9H18 and molecular weight 126.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylhept-1-ene
Also Known As: 3,3-dimethyl-1-heptene, 3,3-dimethylhept-1-ene, 3,3-dimethylheptene-1, 3,3-dimethyl-1 -heptene, 3,3-dimethyl-hept-1-ene
| Molecular Formula | C9H18 |
|---|---|
| Molecular Weight | 126.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.140854 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 19549-89-4 |
|---|---|
| SMILES | CCCCC(C)(C)C=C |
| InChIKey | WETAFQBUDAJCAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethyl-1-heptene (CAS 19549-89-4), with molecular formula C9H18 and molecular weight 126.14 g/mol. IUPAC: 3,3-dimethylhept-1-ene.
Chemical Property Profile of 3,3-Dimethyl-1-heptene
Property Insights of 3,3-Dimethyl-1-heptene
The XLogP value of 4.4 indicates that 3,3-Dimethyl-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, 3,3-Dimethyl-1-heptene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-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 3,3-Dimethyl-1-heptene?
The CAS number of 3,3-Dimethyl-1-heptene is 19549-89-4.
What is the molecular formula of 3,3-Dimethyl-1-heptene?
The molecular formula of 3,3-Dimethyl-1-heptene is C9H18.
What is the molecular weight of 3,3-Dimethyl-1-heptene?
The molecular weight of 3,3-Dimethyl-1-heptene is 126.14 g/mol.
Where can I buy 3,3-Dimethyl-1-heptene?
You can request a quote for 3,3-Dimethyl-1-heptene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-1-heptene?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1-heptene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.