Cas no 36560-81-3 (Carbonic acid, dinonyl ester)
Carbonic acid, dinonyl ester structure
Product Name:Carbonic acid, dinonyl ester
CAS No:36560-81-3
MF:C19H38O3
MW:314.50322675705
CID:1477799
PubChem ID:21880379
Update Time:2025-04-21
Carbonic acid, dinonyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonic acid, dinonyl ester
- dinonyl carbonate
- SCHEMBL346782
- 1-octyl methylcarbonate
- 36560-81-3
- DTXSID50619308
-
- Inchi： 1S/C19H38O3/c1-3-5-7-9-11-13-15-17-21-19(20)22-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
- InChI Key： FHWFURWDUGYUMA-UHFFFAOYSA-N
- SMILES： O(C(=O)OCCCCCCCCC)CCCCCCCCC
Computed Properties
- Exact Mass: 314.28224
- Monoisotopic Mass: 314.28209507g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 18
- Complexity: 207
- 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: 8.4
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Carbonic acid, dinonyl ester Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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