4-Methoxy-4-methyl-1,2-pentadiene
TL;DR: 4-Methoxy-4-methyl-1,2-pentadiene (CAS 49833-91-2) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-4-methylpenta-1,2-diene
Also Known As: 4-Methoxy-4-methyl-1,2-pentadiene, 4-methoxy-4-methylpenta-1,2-diene, 1,2-Pentadiene, 4-methoxy-4-methyl-, 1,2-Pentadiene,4-methoxy-4-methyl-, 4-Methoxy-4-methyl-1,2-pentadiene #
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 49833-91-2 |
|---|---|
| SMILES | CC(C)(C=C=C)OC |
| InChIKey | OQHWUMXEDBMHKI-UHFFFAOYSA-N |
Product Overview
4-Methoxy-4-methyl-1,2-pentadiene (CAS 49833-91-2), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: 4-methoxy-4-methylpenta-1,2-diene.
Chemical Property Profile of 4-Methoxy-4-methyl-1,2-pentadiene
Property Insights of 4-Methoxy-4-methyl-1,2-pentadiene
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-4-methyl-1,2-pentadiene. With a topological polar surface area (TPSA) of 9.2 Ų, 4-Methoxy-4-methyl-1,2-pentadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-4-methyl-1,2-pentadiene 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 4-Methoxy-4-methyl-1,2-pentadiene?
The CAS number of 4-Methoxy-4-methyl-1,2-pentadiene is 49833-91-2.
What is the molecular formula of 4-Methoxy-4-methyl-1,2-pentadiene?
The molecular formula of 4-Methoxy-4-methyl-1,2-pentadiene is C7H12O.
What is the molecular weight of 4-Methoxy-4-methyl-1,2-pentadiene?
The molecular weight of 4-Methoxy-4-methyl-1,2-pentadiene is 112.09 g/mol.
Where can I buy 4-Methoxy-4-methyl-1,2-pentadiene?
You can request a quote for 4-Methoxy-4-methyl-1,2-pentadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-4-methyl-1,2-pentadiene?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-4-methyl-1,2-pentadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.