2-Vinylhexahydro-1,3-benzodioxole
TL;DR: 2-Vinylhexahydro-1,3-benzodioxole (CAS 3891-73-4) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole
Also Known As: 2-Vinylhexahydro-1,3-benzodioxole, 1,3-Benzodioxole, 2-ethenylhexahydro-, 2-vinyl-hexahydro-benzo[1,3]dioxole, 2-Vinylhexahydro-1,3-benzodioxole #, 2-Ethenylhexahydro-2H-1,3-benzodioxole
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 3891-73-4 |
|---|---|
| SMILES | C=CC1OC2CCCCC2O1 |
| InChIKey | TYBVFDMPBNFBAA-UHFFFAOYSA-N |
Product Overview
2-Vinylhexahydro-1,3-benzodioxole (CAS 3891-73-4), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 2-ethenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole.
Chemical Property Profile of 2-Vinylhexahydro-1,3-benzodioxole
Property Insights of 2-Vinylhexahydro-1,3-benzodioxole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Vinylhexahydro-1,3-benzodioxole. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Vinylhexahydro-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Vinylhexahydro-1,3-benzodioxole has 0 hydrogen bond donor(s) and 2 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 2-Vinylhexahydro-1,3-benzodioxole?
The CAS number of 2-Vinylhexahydro-1,3-benzodioxole is 3891-73-4.
What is the molecular formula of 2-Vinylhexahydro-1,3-benzodioxole?
The molecular formula of 2-Vinylhexahydro-1,3-benzodioxole is C9H14O2.
What is the molecular weight of 2-Vinylhexahydro-1,3-benzodioxole?
The molecular weight of 2-Vinylhexahydro-1,3-benzodioxole is 154.10 g/mol.
Where can I buy 2-Vinylhexahydro-1,3-benzodioxole?
You can request a quote for 2-Vinylhexahydro-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Vinylhexahydro-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 2-Vinylhexahydro-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.