Cas no 54468-32-5 (Pentanoyl chloride, 2-chloro-2-methyl-)
54468-32-5 structure
Product Name:Pentanoyl chloride, 2-chloro-2-methyl-
CAS No:54468-32-5
MF:C6H10Cl2O
MW:169.049000263214
CID:354492
PubChem ID:54562496
Update Time:2025-04-19
Pentanoyl chloride, 2-chloro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoyl chloride, 2-chloro-2-methyl-
- 2-chloro-2-methylpentanoyl chloride
- DTXSID10712223
- SCHEMBL11319107
- 54468-32-5
-
- Inchi： 1S/C6H10Cl2O/c1-3-4-6(2,8)5(7)9/h3-4H2,1-2H3
- InChI Key： ZRNNJCUWHXYYSP-UHFFFAOYSA-N
- SMILES： ClC(C(=O)Cl)(C)CCC
Computed Properties
- Exact Mass: 168.011
- Monoisotopic Mass: 168.0108703g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 114
- 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: 2.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Pentanoyl chloride, 2-chloro-2-methyl- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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