Cas no 68701-99-5 (3,5-Dimethyl-1,6-heptadiene)
3,5-Dimethyl-1,6-heptadiene structure
Product Name:3,5-Dimethyl-1,6-heptadiene
CAS No:68701-99-5
MF:C9H16
MW:124.223342895508
CID:2676871
Update Time:2023-08-06
3,5-Dimethyl-1,6-heptadiene Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Dimethyl-1,6-heptadiene
- 1,6-Heptadiene, 3,5-dimethyl-
- IILUPZLCNCGGHZ-UHFFFAOYSA-N
- 3,5-Dimethyl-1,6-heptadiene #
-
- Inchi： 1S/C9H16/c1-5-8(3)7-9(4)6-2/h5-6,8-9H,1-2,7H2,3-4H3
- InChI Key： IILUPZLCNCGGHZ-UHFFFAOYSA-N
- SMILES： C(C(C=C)C)C(C=C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 80.2
- Topological Polar Surface Area: 0
3,5-Dimethyl-1,6-heptadiene Related Literature
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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