Cas no 77582-73-1 (Octanoyl chloride, 2-hexyl-)
Octanoyl chloride, 2-hexyl- structure
Product Name:Octanoyl chloride, 2-hexyl-
CAS No:77582-73-1
MF:C14H27ClO
MW:246.816583871841
CID:535848
PubChem ID:71403260
Update Time:2025-04-19
Octanoyl chloride, 2-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- Octanoyl chloride, 2-hexyl-
- 2-hexyloctanoyl chloride
- DTXSID00824182
- 77582-73-1
- A901100
-
- Inchi： 1S/C14H27ClO/c1-3-5-7-9-11-13(14(15)16)12-10-8-6-4-2/h13H,3-12H2,1-2H3
- InChI Key： HZPNSZFAYUWMBC-UHFFFAOYSA-N
- SMILES： ClC(C(CCCCCC)CCCCCC)=O
Computed Properties
- Exact Mass: 246.17521
- Monoisotopic Mass: 246.1750432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 11
- Complexity: 156
- 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: 6.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Octanoyl chloride, 2-hexyl- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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