1-Butene, 3-methoxy-3-methyl-
TL;DR: 1-Butene, 3-methoxy-3-methyl- (CAS 40426-44-6) is a chemical compound with molecular formula C6H12O and molecular weight 100.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-3-methylbut-1-ene
Also Known As: 3-methoxy-3-methylbut-1-ene, 2-Methoxy-2-methylbut-3-ene, 2-methyl-2-methoxy-3-butene, 3-Methoxy-3-methyl-1-butene, 1-Butene, 3-methoxy-3-methyl-
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 100.08881 |
| Heavy Atoms | 7 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 40426-44-6 |
|---|---|
| SMILES | CC(C)(C=C)OC |
| InChIKey | KZFIDRJBGCIAOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butene, 3-methoxy-3-methyl- (CAS 40426-44-6), with molecular formula C6H12O and molecular weight 100.09 g/mol. IUPAC: 3-methoxy-3-methylbut-1-ene.
Chemical Property Profile of 1-Butene, 3-methoxy-3-methyl-
Property Insights of 1-Butene, 3-methoxy-3-methyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butene, 3-methoxy-3-methyl-. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Butene, 3-methoxy-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butene, 3-methoxy-3-methyl- has 0 hydrogen bond donor(s) and 1 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, 3-methoxy-3-methyl-?
The CAS number of 1-Butene, 3-methoxy-3-methyl- is 40426-44-6.
What is the molecular formula of 1-Butene, 3-methoxy-3-methyl-?
The molecular formula of 1-Butene, 3-methoxy-3-methyl- is C6H12O.
What is the molecular weight of 1-Butene, 3-methoxy-3-methyl-?
The molecular weight of 1-Butene, 3-methoxy-3-methyl- is 100.09 g/mol.
Where can I buy 1-Butene, 3-methoxy-3-methyl-?
You can request a quote for 1-Butene, 3-methoxy-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butene, 3-methoxy-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butene, 3-methoxy-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.