Cas no 61847-87-8 (1-Heptacosyne)
1-Heptacosyne structure
Product Name:1-Heptacosyne
CAS No:61847-87-8
MF:C27H52
MW:376.701788902283
CID:390717
PubChem ID:54524165
Update Time:2025-04-19
1-Heptacosyne Chemical and Physical Properties
Names and Identifiers
-
- 1-Heptacosyne
- heptacos-1-yne
- 61847-87-8
- DTXSID20711949
-
- Inchi： 1S/C27H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h1H,4-27H2,2H3
- InChI Key： WQIIFNZXBFDHKQ-UHFFFAOYSA-N
- SMILES： C(CCCCCCCCCCCC)CCCCCCCCCCCCC#C
Computed Properties
- Exact Mass: 376.406901659g/mol
- Monoisotopic Mass: 376.406901659g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 27
- Rotatable Bond Count: 23
- Complexity: 294
- 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: 13.8
- Topological Polar Surface Area: 0?2
1-Heptacosyne Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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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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