Cas no 14031-86-8 (1-Heptene,2,4,4,6,6-pentamethyl-)
14031-86-8 structure
Product Name:1-Heptene,2,4,4,6,6-pentamethyl-
1-Heptene,2,4,4,6,6-pentamethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Heptene,2,4,4,6,6-pentamethyl-
- 2,4,4,6,6-pentamethylhept-1-ene
- 2,4,4,6,6-Pentamethylheptene-1
- Einecs 237-869-2
- 2,4,4,6,6-Pentamethyl-1-heptene
- 1-Heptene, 2,4,4,6,6-pentamethyl-
- NSSBKMKRTGHAAN-UHFFFAOYSA-N
- DTXSID5065697
- NS00024547
- 14031-86-8
- 588OS7953P
- Q27261573
- 2,4,4,6,6-pentamethyl-hept-1-ene
- UNII-588OS7953P
-
- Inchi： 1S/C12H24/c1-10(2)8-12(6,7)9-11(3,4)5/h1,8-9H2,2-7H3
- InChI Key： NSSBKMKRTGHAAN-UHFFFAOYSA-N
- SMILES： C(C)(C)(CC(=C)C)CC(C)(C)C
Computed Properties
- Exact Mass: 168.18792
- Monoisotopic Mass: 168.188
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 155
- 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
- Topological Polar Surface Area: 0A^2
- XLogP3: 5.4
Experimental Properties
- Density: 0.759
- Boiling Point: 190.9°Cat760mmHg
- Flash Point: 56.7°C
- Refractive Index: 1.429
- PSA: 0
1-Heptene,2,4,4,6,6-pentamethyl- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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