Hex-3-en-1-yl methyl carbonate
TL;DR: Hex-3-en-1-yl methyl carbonate (CAS 67633-96-9) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-3-enyl methyl carbonate
Also Known As: hex-3-enyl methyl carbonate, 3-cis-Hexenyl methyl carbonate, Hex-3-en-1-yl methyl carbonate, (Z)-3-hexen-1-yl methyl carbonate, (Z)-Hex-3-en-1-yl methyl carbonate
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 67633-96-9 |
|---|---|
| SMILES | CCC=CCCOC(=O)OC |
| InChIKey | BLOXMGXSDAAJGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hex-3-en-1-yl methyl carbonate (CAS 67633-96-9), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: hex-3-enyl methyl carbonate.
Chemical Property Profile of Hex-3-en-1-yl methyl carbonate
Property Insights of Hex-3-en-1-yl methyl carbonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hex-3-en-1-yl methyl carbonate. With a topological polar surface area (TPSA) of 35.5 Ų, Hex-3-en-1-yl methyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-3-en-1-yl methyl carbonate has 0 hydrogen bond donor(s) and 3 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 Hex-3-en-1-yl methyl carbonate?
The CAS number of Hex-3-en-1-yl methyl carbonate is 67633-96-9.
What is the molecular formula of Hex-3-en-1-yl methyl carbonate?
The molecular formula of Hex-3-en-1-yl methyl carbonate is C8H14O3.
What is the molecular weight of Hex-3-en-1-yl methyl carbonate?
The molecular weight of Hex-3-en-1-yl methyl carbonate is 158.09 g/mol.
Where can I buy Hex-3-en-1-yl methyl carbonate?
You can request a quote for Hex-3-en-1-yl methyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-3-en-1-yl methyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Hex-3-en-1-yl methyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.