Cas no 40710-43-8 (1-Pentacontanol)
1-Pentacontanol structure
Product Name:1-Pentacontanol
CAS No:40710-43-8
MF:C50H102O
MW:719.34429693222
CID:2667712
PubChem ID:545594
Update Time:2025-04-21
1-Pentacontanol Chemical and Physical Properties
Names and Identifiers
-
- pentacontan-1-ol
- 1-Pentacontanol
- RJ0ZGV102N
- Acalyphol
- N-Pentacontanol
- HO(CH2)50H
- Q27288140
- DTXCID30116188
- SCHEMBL5497044
- 40710-43-8
- DTXSID90193697
- UNII-RJ0ZGV102N
-
- Inchi： 1S/C50H102O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51/h51H,2-50H2,1H3
- InChI Key： LDCJGXVGWOTHSW-UHFFFAOYSA-N
- SMILES： CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Computed Properties
- Exact Mass: 718.79306787 g/mol
- Monoisotopic Mass: 718.79306787 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 51
- Rotatable Bond Count: 48
- Complexity: 557
- 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: 25.7
- Topological Polar Surface Area: 20.2
- Molecular Weight: 719.3
1-Pentacontanol Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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