Cas no 17701-32-5 (Octanoyl chloride,2,2-dimethyl-)
17701-32-5 structure
Product Name:Octanoyl chloride,2,2-dimethyl-
CAS No:17701-32-5
MF:C10H19ClO
MW:190.710262537003
CID:230210
PubChem ID:248434
Update Time:2025-04-19
Octanoyl chloride,2,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Octanoyl chloride,2,2-dimethyl-
- 2,2-DIMETHYLOCTANOYL CHLORIDE
- 2,2-Dimethyl-caprylsaeure-chlorid
- 2,2-Dimethyl-caprylsaeure-methylester
- 2,2-Dimethyl-octanoic acid methyl ester
- 2,2-dimethyl-octanoyl chloride
- 2,2-Dimethyl-octanoylchlorid
- 2,2-Dimethyloctansaeuremethylester
- SCHEMBL1410547
- AKOS006274913
- Q27258992
- KICJYSRARHIXHM-UHFFFAOYSA-N
- 17701-32-5
- NSC-65467
- NSC65467
- DTXSID30938887
-
- Inchi： 1S/C10H19ClO/c1-4-5-6-7-8-10(2,3)9(11)12/h4-8H2,1-3H3
- InChI Key： KICJYSRARHIXHM-UHFFFAOYSA-N
- SMILES： ClC(C(C)(C)CCCCCC)=O
Computed Properties
- Exact Mass: 190.11200
- Monoisotopic Mass: 190.1124429g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 141
- 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: 4.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 3.74840
Octanoyl chloride,2,2-dimethyl- Related Literature
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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