Cas no 266-71-7 (Benzocyclooctadecene)
Benzocyclooctadecene structure
Product Name:Benzocyclooctadecene
CAS No:266-71-7
MF:C22H20
MW:284.394206047058
CID:1430805
PubChem ID:12319968
Update Time:2025-04-20
Benzocyclooctadecene Chemical and Physical Properties
Names and Identifiers
-
- Benzocyclooctadecene
- bicyclo[16.4.0]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
- 266-71-7
- DTXSID50488293
- (4aE,6Z,8E,10E,12Z,14E,16E,18Z,20E)-Benzo[18]annulene
-
- Inchi： 1S/C22H20/c1-2-4-6-8-10-12-14-18-22-20-16-15-19-21(22)17-13-11-9-7-5-3-1/h1-20H/b2-1-,3-1+,4-2+,5-3+,6-4+,7-5-,8-6-,9-7+,10-8+,11-9+,12-10+,13-11-,14-12-,17-13+,18-14+,21-17+,22-18+
- InChI Key： AXTHLVDCSAHGQP-ATMQHAQYSA-N
- SMILES： C12C=CC=CC=CC=CC=CC=CC=CC=CC1=CC=CC=2 |c:5,11,t:1,3,7,9,13,15|
Computed Properties
- Exact Mass: 284.1566
- Monoisotopic Mass: 284.156500638g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 616
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzocyclooctadecene Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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