Cas no 20207-33-4 (Octanoic acid 2-(hexyloxy)-ethyl ester)
20207-33-4 structure
Product Name:Octanoic acid 2-(hexyloxy)-ethyl ester
CAS No:20207-33-4
MF:C16H32O3
MW:272.42348575592
CID:2840370
PubChem ID:53437859
Update Time:2025-04-21
Octanoic acid 2-(hexyloxy)-ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- DTXSID20701168
- 20207-33-4
- 2-(HEXYLOXY)ETHYL OCTANOATE
- OCTANOIC ACID 2-(HEXYLOXY)-ETHYL ESTER
- Octanoic acid 2-(hexyloxy)-ethyl ester
-
- Inchi： 1S/C16H32O3/c1-3-5-7-9-10-12-16(17)19-15-14-18-13-11-8-6-4-2/h3-15H2,1-2H3
- InChI Key： UPNQRTNSQAXCJU-UHFFFAOYSA-N
- SMILES： O(CCOC(CCCCCCC)=O)CCCCCC
Computed Properties
- Exact Mass: 272.235
- Monoisotopic Mass: 272.235
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 15
- Complexity: 192
- 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: 35.5A^2
- XLogP3: 5.3
Octanoic acid 2-(hexyloxy)-ethyl ester Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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