Cas no 61651-10-3 (Pentane, 1-chloro-5-iodo-3-methyl-)
61651-10-3 structure
Product Name:Pentane, 1-chloro-5-iodo-3-methyl-
CAS No:61651-10-3
MF:C6H12ClI
MW:246.516953468323
CID:471423
PubChem ID:71393766
Update Time:2025-04-19
Pentane, 1-chloro-5-iodo-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pentane, 1-chloro-5-iodo-3-methyl-
- 1-chloro-5-iodo-3-methylpentane
- 61651-10-3
- DTXSID60815516
-
- Inchi： 1S/C6H12ClI/c1-6(2-4-7)3-5-8/h6H,2-5H2,1H3
- InChI Key： HITOEBVEXVUZOA-UHFFFAOYSA-N
- SMILES： ICCC(C)CCCl
Computed Properties
- Exact Mass: 245.96686
- Monoisotopic Mass: 245.96723g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 47.8
- 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: 3.8
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Pentane, 1-chloro-5-iodo-3-methyl- Related Literature
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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