TL;DR: 1,4,7,10-Benzotetraoxacyclododecin, 12-ethenyl-2,3,5,6,8,9-hexahydro- (CAS 109789-52-8) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-ethenyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
Also Known As: J2.016.379H, 1,4,7,10-Benzotetraoxacyclododecin, 12-ethenyl-2,3,5,6,8,9-hexahydro-, 12-vinyl-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene, 15-ethenyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-13,15,17-triene, 12-ETHENYL-2,3,5,6,8,9-HEXAHYDRO-1,4,7,10-BENZOTETRAOXACYCLODODECINE
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.12051 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.12051 Da |
| Heavy Atoms | 18 |
| Complexity | 244.0 |
| SMILES | C=CC1=CC2=C(C=C1)OCCOCCOCCO2 |
| InChIKey | WSCUTAALOYMOGJ-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,7,10-Benzotetraoxacyclododecin, 12-ethenyl-2,3,5,6,8,9-hexahydro-. With a topological polar surface area (TPSA) of 36.9 Ų, 1,4,7,10-Benzotetraoxacyclododecin, 12-ethenyl-2,3,5,6,8,9-hexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,7,10-Benzotetraoxacyclododecin, 12-ethenyl-2,3,5,6,8,9-hexahydro- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,4,7,10-Benzotetraoxacyclododecin, 12-ethenyl-2,3,5,6,8,9-hexahydro- is 109789-52-8.
The molecular formula of 1,4,7,10-Benzotetraoxacyclododecin, 12-ethenyl-2,3,5,6,8,9-hexahydro- is C14H18O4.
The molecular weight of 1,4,7,10-Benzotetraoxacyclododecin, 12-ethenyl-2,3,5,6,8,9-hexahydro- is 250.12051 g/mol.
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