3-Ethyl-4,4-dimethyl-2-pentene
TL;DR: 3-Ethyl-4,4-dimethyl-2-pentene (CAS 53907-59-8) 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-ethyl-4,4-dimethylpent-2-ene
Also Known As: 3-Ethyl-4,4-dimethyl-2-pentene
| Molecular Formula | C9H18 |
|---|---|
| Molecular Weight | 126.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.140854 |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 53907-59-8 |
|---|---|
| SMILES | CCC(=CC)C(C)(C)C |
| InChIKey | MNQIWYOURGVWDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-4,4-dimethyl-2-pentene (CAS 53907-59-8), with molecular formula C9H18 and molecular weight 126.14 g/mol. IUPAC: 3-ethyl-4,4-dimethylpent-2-ene.
Chemical Property Profile of 3-Ethyl-4,4-dimethyl-2-pentene
Property Insights of 3-Ethyl-4,4-dimethyl-2-pentene
The XLogP value of 4.0 indicates that 3-Ethyl-4,4-dimethyl-2-pentene 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-Ethyl-4,4-dimethyl-2-pentene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-4,4-dimethyl-2-pentene 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-Ethyl-4,4-dimethyl-2-pentene?
The CAS number of 3-Ethyl-4,4-dimethyl-2-pentene is 53907-59-8.
What is the molecular formula of 3-Ethyl-4,4-dimethyl-2-pentene?
The molecular formula of 3-Ethyl-4,4-dimethyl-2-pentene is C9H18.
What is the molecular weight of 3-Ethyl-4,4-dimethyl-2-pentene?
The molecular weight of 3-Ethyl-4,4-dimethyl-2-pentene is 126.14 g/mol.
Where can I buy 3-Ethyl-4,4-dimethyl-2-pentene?
You can request a quote for 3-Ethyl-4,4-dimethyl-2-pentene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-4,4-dimethyl-2-pentene?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-4,4-dimethyl-2-pentene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.