Cas no 27400-79-9 (Heneicosene)
Heneicosene structure
Product Name:Heneicosene
CAS No:27400-79-9
MF:C21H42
MW:294.558187007904
CID:290454
PubChem ID:3015374
Update Time:2025-04-19
Heneicosene Chemical and Physical Properties
Names and Identifiers
-
- Heneicosene
- henicos-1-ene
- henicosene
- DTXSID10950087
- EINECS 248-443-0
- LMFA11000315
- 1599-68-4
- 1-Heneicosene
- UNII-1RU0UO26IU
- Heneicosene-
- 27400-79-9
- Q27252803
- NS00050327
- 1RU0UO26IU
-
- Inchi： 1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3H,1,4-21H2,2H3
- InChI Key： JTOGFHAZQVDOAO-UHFFFAOYSA-N
- SMILES： C(CCCCCCCCC)CCCCCCCCCC=C
Computed Properties
- Exact Mass: 294.32886
- Monoisotopic Mass: 294.329
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 21
- Rotatable Bond Count: 18
- Complexity: 183
- 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: 11.6
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.7761 (estimate)
- Melting Point: 33.3°C
- Boiling Point: 346.31°C (estimate)
- Flash Point: 185.6°C
- Refractive Index: 1.4544 (estimate)
- PSA: 0
Heneicosene Related Literature
-
Ruixue Wang,Erxiao Song,Chenglong Zhang,Xuning Zhuang,En Ma,Jianfeng Bai,Wenyi Yuan,Jingwei Wang RSC Adv. 2019 9 18115
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