Cas no 14093-16-4 (2-Chloro-2,6-dimethylheptane)
2-Chloro-2,6-dimethylheptane structure
Product Name:2-Chloro-2,6-dimethylheptane
CAS No:14093-16-4
MF:C9H19Cl
MW:162.700162172318
CID:120147
PubChem ID:2776082
Update Time:2025-04-18
2-Chloro-2,6-dimethylheptane Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloro-2,6-dimethylheptane
- Heptane,2-chloro-2,6-dimethyl-
- 2,6-Dimethyl-2-chlorheptan
- 2-chloro-2,6-dimethyl-heptane
- AC1MCQPB
- AG-D-81753
- CTK4C2399
- KB-169314
- OR22913
- DTXSID40379803
- 14093-16-4
- Heptane, 2-chloro-2,6-dimethyl-
- SCHEMBL18723208
-
- Inchi： 1S/C9H19Cl/c1-8(2)6-5-7-9(3,4)10/h8H,5-7H2,1-4H3
- InChI Key： NJWHTGOVVVUUSI-UHFFFAOYSA-N
- SMILES： ClC(C)(C)CCCC(C)C
Computed Properties
- Exact Mass: 162.11767
- Monoisotopic Mass: 162.1175283g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 84.7
- 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
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
2-Chloro-2,6-dimethylheptane Related Literature
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
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
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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