1-Methoxybuta-1,3-diene
TL;DR: 1-Methoxybuta-1,3-diene (CAS 3036-66-6) is a chemical compound with molecular formula C5H8O and molecular weight 84.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxybuta-1,3-diene
Also Known As: 1-Methoxy-1,3-butadiene, 1-Methoxybutadiene, 1-methoxybuta-1,3-diene, 1,3-Butadienyl methyl ether, 1-methoxy-butadiene
| Molecular Formula | C5H8O |
|---|---|
| Molecular Weight | 84.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 84.05752 |
| Heavy Atoms | 6 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 3036-66-6 |
|---|---|
| SMILES | COC=CC=C |
| InChIKey | KOCUMXQOUWPSLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methoxybuta-1,3-diene (CAS 3036-66-6), with molecular formula C5H8O and molecular weight 84.06 g/mol. IUPAC: 1-methoxybuta-1,3-diene.
Chemical Property Profile of 1-Methoxybuta-1,3-diene
Property Insights of 1-Methoxybuta-1,3-diene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxybuta-1,3-diene. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Methoxybuta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxybuta-1,3-diene 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-Methoxybuta-1,3-diene?
The CAS number of 1-Methoxybuta-1,3-diene is 3036-66-6.
What is the molecular formula of 1-Methoxybuta-1,3-diene?
The molecular formula of 1-Methoxybuta-1,3-diene is C5H8O.
What is the molecular weight of 1-Methoxybuta-1,3-diene?
The molecular weight of 1-Methoxybuta-1,3-diene is 84.06 g/mol.
Where can I buy 1-Methoxybuta-1,3-diene?
You can request a quote for 1-Methoxybuta-1,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxybuta-1,3-diene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxybuta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.