Cas no 49802-73-5 (Hexanoyl chloride, 2-ethyl-2-methyl-)
49802-73-5 structure
Product Name:Hexanoyl chloride, 2-ethyl-2-methyl-
CAS No:49802-73-5
MF:C9H17ClO
MW:176.683682203293
CID:323855
PubChem ID:22759085
Update Time:2025-04-19
Hexanoyl chloride, 2-ethyl-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoyl chloride, 2-ethyl-2-methyl-
- 2-ethyl-2-methylhexanoyl chloride
- DTXSID30628170
- 49802-73-5
- KQMKJGXDDZOKPF-UHFFFAOYSA-N
- 2-methyl-2-ethylhexanoic acid chloride
- SCHEMBL11240509
- 2-methyl-2-ethyl-hexanoyl chloride
-
- Inchi： 1S/C9H17ClO/c1-4-6-7-9(3,5-2)8(10)11/h4-7H2,1-3H3
- InChI Key： KQMKJGXDDZOKPF-UHFFFAOYSA-N
- SMILES： ClC(C(C)(CC)CCCC)=O
Computed Properties
- Exact Mass: 176.0967929g/mol
- Monoisotopic Mass: 176.0967929g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 134
- 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: 4
- Topological Polar Surface Area: 17.1?2
Hexanoyl chloride, 2-ethyl-2-methyl- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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