1,2:3,4-Dicycloheptenobenzene
TL;DR: 1,2:3,4-Dicycloheptenobenzene (CAS 14314-87-5) is a chemical compound with molecular formula C16H22 and molecular weight 214.17215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tricyclo[9.5.0.03,9]hexadeca-1(11),2,9-triene
Also Known As: 1,2:3,4-Dicycloheptenobenzene, 1,2,3,4,5,7,8,9,10,11-Decahydrobenzo[1,2-a:4,5-a']di[7]annulene, Benzo[1,2:3,4]dicycloheptene, 1,2,3,4,5,8,9,10,11,12-decahydro-
Technical Specifications
| Molecular Formula | C16H22 |
| Molecular Weight | 214.17215 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.17215 Da |
| Heavy Atoms | 16 |
| Complexity | 176.0 |
| SMILES | C1CCC2=CC3=C(CCCCC3)C=C2CC1 |
| InChIKey | WJQQTTIQCZWNPU-UHFFFAOYSA-N |
Chemical Property Profile of 1,2:3,4-Dicycloheptenobenzene
Property Insights of 1,2:3,4-Dicycloheptenobenzene
The XLogP value of 5.8 indicates that 1,2:3,4-Dicycloheptenobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2:3,4-Dicycloheptenobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2:3,4-Dicycloheptenobenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,2:3,4-Dicycloheptenobenzene?
The CAS number of 1,2:3,4-Dicycloheptenobenzene is 14314-87-5.
What is the molecular formula of 1,2:3,4-Dicycloheptenobenzene?
The molecular formula of 1,2:3,4-Dicycloheptenobenzene is C16H22.
What is the molecular weight of 1,2:3,4-Dicycloheptenobenzene?
The molecular weight of 1,2:3,4-Dicycloheptenobenzene is 214.17215 g/mol.
Where can I buy 1,2:3,4-Dicycloheptenobenzene?
You can request a quote for 1,2:3,4-Dicycloheptenobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2:3,4-Dicycloheptenobenzene?
Yes, CoreyChem provides custom synthesis services for 1,2:3,4-Dicycloheptenobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.