Cas no 61847-85-6 (1-Pentacosyne)
1-Pentacosyne structure
Product Name:1-Pentacosyne
CAS No:61847-85-6
MF:C25H48
MW:348.648628234863
CID:390719
PubChem ID:54368215
Update Time:2025-04-19
1-Pentacosyne Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentacosyne
- pentacos-1-yne
- 61847-85-6
- DTXSID70710881
-
- Inchi： 1S/C25H48/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h1H,4-25H2,2H3
- InChI Key： PSVIFCMEORUFBZ-UHFFFAOYSA-N
- SMILES： C(CCCCCCCCCCC)CCCCCCCCCCCC#C
Computed Properties
- Exact Mass: 348.376
- Monoisotopic Mass: 348.376
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 25
- Rotatable Bond Count: 21
- Complexity: 269
- 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
- Topological Polar Surface Area: 0A^2
- XLogP3: 12.7
1-Pentacosyne Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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