Cas no 158504-99-5 (Oxirane,2-(1-heptyn-1-yl)-)
Oxirane,2-(1-heptyn-1-yl)- structure
Product Name:Oxirane,2-(1-heptyn-1-yl)-
CAS No:158504-99-5
MF:C9H14O
MW:138.206862926483
CID:108218
PubChem ID:14979808
Update Time:2025-04-18
Oxirane,2-(1-heptyn-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Oxirane,2-(1-heptyn-1-yl)-
- Oxirane, 1-heptynyl- (9CI)
- Oxirane, 1-heptynyl-(9CI)
- 158504-99-5
- 2-hept-1-ynyloxirane
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- Inchi： 1S/C9H14O/c1-2-3-4-5-6-7-9-8-10-9/h9H,2-5,8H2,1H3
- InChI Key： NIENJVSWKQUPAC-UHFFFAOYSA-N
- SMILES： O1CC1C#CCCCCC
Computed Properties
- Exact Mass: 138.10400
- Monoisotopic Mass: 138.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 149
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 12.5?2
Experimental Properties
- PSA: 12.53000
- LogP: 1.96890
Oxirane,2-(1-heptyn-1-yl)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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