Cas no 90224-29-6 (1-Chloro-3,3,4-trimethylpentane)
90224-29-6 structure
Product Name:1-Chloro-3,3,4-trimethylpentane
CAS No:90224-29-6
MF:C8H17Cl
MW:148.673581838608
CID:2811965
PubChem ID:19884398
Update Time:2025-04-21
1-Chloro-3,3,4-trimethylpentane Chemical and Physical Properties
Names and Identifiers
-
- DTXSID10600999
- 1-Chloro-3,3,4-trimethylpentane
- 90224-29-6
- SCHEMBL9329508
- AKOS006384471
-
- Inchi： 1S/C8H17Cl/c1-7(2)8(3,4)5-6-9/h7H,5-6H2,1-4H3
- InChI Key： FUWJJYUOCOKSDX-UHFFFAOYSA-N
- SMILES： ClCCC(C)(C)C(C)C
Computed Properties
- Exact Mass: 148.1018782Da
- Monoisotopic Mass: 148.1018782Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 74.6
- 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: 3.7
- Topological Polar Surface Area: 0?2
1-Chloro-3,3,4-trimethylpentane Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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