Cas no 71418-30-9 (6,10-Nonacosanediol)
6,10-Nonacosanediol structure
Product Name:6,10-Nonacosanediol
CAS No:71418-30-9
MF:C29H60O2
MW:440.785510063171
CID:531044
PubChem ID:5320188
Update Time:2025-04-19
6,10-Nonacosanediol Chemical and Physical Properties
Names and Identifiers
-
- 6,10-Nonacosanediol
- nonacosane-6,10-diol
- Nonacosanediol-6,10
- 71418-30-9
- DTXSID20415773
-
- Inchi： 1S/C29H60O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-29(31)27-23-26-28(30)24-21-6-4-2/h28-31H,3-27H2,1-2H3
- InChI Key： CCWIJOSUZUGYSX-UHFFFAOYSA-N
- SMILES： CCCCCCCCCCCCCCCCCCCC(CCCC(CCCCC)O)O
Computed Properties
- Exact Mass: 440.45933115g/mol
- Monoisotopic Mass: 440.45933115g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 31
- Rotatable Bond Count: 26
- Complexity: 318
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 12.3
- Topological Polar Surface Area: 40.5?2
6,10-Nonacosanediol Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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