Cas no 36617-13-7 ()
structure
Product Name:
CAS No:36617-13-7
MF:C27H54O2
MW:410.716469287872
CID:6765851
PubChem ID:18004056
Update Time:2024-03-03
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C27H54O2/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-29-27(28)25-23-21-19-17-12-10-8-6-4-2/h3-26H2,1-2H3
- InChI Key： XRONBWIVNVRBIF-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCC)=O)CCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 410.412380961g/mol
- Monoisotopic Mass: 410.412380961g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 29
- Rotatable Bond Count: 25
- Complexity: 314
- 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: 12.5
- Topological Polar Surface Area: 26.3?2
Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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