Cas no 918403-19-7 (2,5-Dimethylpentadec-5-EN-3-one)
918403-19-7 structure
Product Name:2,5-Dimethylpentadec-5-EN-3-one
CAS No:918403-19-7
MF:C17H32O
MW:252.435385704041
CID:776901
Update Time:2023-08-03
2,5-Dimethylpentadec-5-EN-3-one Chemical and Physical Properties
Names and Identifiers
-
- 5-Pentadecen-3-one, 2,5-dimethyl-
- 2,5-dimethylpentadec-5-en-3-one
- 2,5-Dimethylpentadec-5-EN-3-one
-
- Inchi： 1S/C17H32O/c1-5-6-7-8-9-10-11-12-13-16(4)14-17(18)15(2)3/h13,15H,5-12,14H2,1-4H3
- InChI Key： YWTUVSOVWGWOFV-UHFFFAOYSA-N
- SMILES： O=C(C(C)C)CC(C)=CCCCCCCCCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 11
- Complexity: 238
- Topological Polar Surface Area: 17.1
2,5-Dimethylpentadec-5-EN-3-one Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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