Cas no 21856-74-6 (Cyclooctanone,2,8-bis(phenylmethylene)-)
21856-74-6 structure
Product Name:Cyclooctanone,2,8-bis(phenylmethylene)-
CAS No:21856-74-6
MF:C22H22O
MW:302.409486293793
CID:283878
PubChem ID:6439695
Update Time:2025-04-19
Cyclooctanone,2,8-bis(phenylmethylene)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclooctanone,2,8-bis(phenylmethylene)-
- 2,8-dibenzylidenecyclooctan-1-one
- 2,8-Dibenzylidenecyclooctanone
- Cyclooctanone, 2,8-bis(phenylmethylene)-
- 21856-74-6
-
- Inchi： 1S/C22H22O/c23-22-20(16-18-10-4-1-5-11-18)14-8-3-9-15-21(22)17-19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2/b20-16+,21-17+
- InChI Key： CYSNTYNRDDKJBV-NWILIBCHSA-N
- SMILES： O=C1/C(=C/C2C=CC=CC=2)/CCCCC/C/1=C\C1C=CC=CC=1
Computed Properties
- Exact Mass: 302.16716
- Monoisotopic Mass: 302.167065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 405
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
- XLogP3: 6.1
Experimental Properties
- Density: 1.103
- Boiling Point: 493.7°Cat760mmHg
- Flash Point: 216.7°C
- Refractive Index: 1.636
- PSA: 17.07
Cyclooctanone,2,8-bis(phenylmethylene)- Related Literature
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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