1-Butene, 2-ethyl-3,3-dimethyl
TL;DR: 1-Butene, 2-ethyl-3,3-dimethyl (CAS 18231-53-3) is a chemical compound with molecular formula C8H16 and molecular weight 112.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-3-methylidenepentane
Also Known As: 2-Ethyl-3,3-dimethylbut-1-ene, 2,2-dimethyl-3-methylidenepentane, 1-Butene, 2-ethyl-3,3-dimethyl, 2-ethyl-3,3-dimethyl-1-butene, Pentane, 2,2-dimethyl-3-methylene-
| Molecular Formula | C8H16 |
|---|---|
| Molecular Weight | 112.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.1252 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 18231-53-3 |
|---|---|
| SMILES | CCC(=C)C(C)(C)C |
| InChIKey | KQRPZENSXZIOQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butene, 2-ethyl-3,3-dimethyl (CAS 18231-53-3), with molecular formula C8H16 and molecular weight 112.13 g/mol. IUPAC: 2,2-dimethyl-3-methylidenepentane.
Chemical Property Profile of 1-Butene, 2-ethyl-3,3-dimethyl
Property Insights of 1-Butene, 2-ethyl-3,3-dimethyl
The XLogP value of 3.8 indicates that 1-Butene, 2-ethyl-3,3-dimethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Butene, 2-ethyl-3,3-dimethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butene, 2-ethyl-3,3-dimethyl 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 1-Butene, 2-ethyl-3,3-dimethyl?
The CAS number of 1-Butene, 2-ethyl-3,3-dimethyl is 18231-53-3.
What is the molecular formula of 1-Butene, 2-ethyl-3,3-dimethyl?
The molecular formula of 1-Butene, 2-ethyl-3,3-dimethyl is C8H16.
What is the molecular weight of 1-Butene, 2-ethyl-3,3-dimethyl?
The molecular weight of 1-Butene, 2-ethyl-3,3-dimethyl is 112.13 g/mol.
Where can I buy 1-Butene, 2-ethyl-3,3-dimethyl?
You can request a quote for 1-Butene, 2-ethyl-3,3-dimethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butene, 2-ethyl-3,3-dimethyl?
Yes, KEHONG BIO provides custom synthesis services for 1-Butene, 2-ethyl-3,3-dimethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.