Cas no 542-48-3 (26-HENPENTACONTANONE)
26-HENPENTACONTANONE structure
Product Name:26-HENPENTACONTANONE
CAS No:542-48-3
MF:C51H102O
MW:731.354997158051
CID:3280087
PubChem ID:12302783
Update Time:2025-04-21
26-HENPENTACONTANONE Chemical and Physical Properties
Names and Identifiers
-
- 26-HENPENTACONTANONE
- DTXSID801315361
- 542-48-3
-
- Inchi： 1S/C51H102O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51(52)50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-50H2,1-2H3
- InChI Key： PKZJUYOBOWNULS-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 730.79306787Da
- Monoisotopic Mass: 730.79306787Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 52
- Rotatable Bond Count: 48
- Complexity: 573
- 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: 25.4
- Topological Polar Surface Area: 17.1?2
26-HENPENTACONTANONE Related Literature
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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