Cas no 20210-14-4 (2-(4-Bromobutyl)-2-methyl-1,3-dioxolane)
20210-14-4 structure
Product Name:2-(4-Bromobutyl)-2-methyl-1,3-dioxolane
CAS No:20210-14-4
MF:C8H15BrO2
MW:223.107502222061
CID:1066577
PubChem ID:560013
Update Time:2025-04-20
2-(4-Bromobutyl)-2-methyl-1,3-dioxolane Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-Bromobutyl)-2-methyl-1,3-dioxolane
- 2-(4-Bromo-butyl)-2-methyl-[1,3]dioxolane
- 1,3-Dioxolane, 2-(4-bromobutyl)-2-methyl-
- DTXSID10339914
- 2-(4-Bromobutyl)-2-methyl-1,3-dioxolane #
- SCHEMBL1165987
- 6-bromohexan-2-one ethylene ketal
- 20210-14-4
- DB-337639
- 6-Bromo-2-hexanone ethylene ketal
-
- Inchi： 1S/C8H15BrO2/c1-8(4-2-3-5-9)10-6-7-11-8/h2-7H2,1H3
- InChI Key： LILWCYXXHPIZSQ-UHFFFAOYSA-N
- SMILES： BrCCCCC1(C)OCCO1
Computed Properties
- Exact Mass: 222.02555
- Monoisotopic Mass: 222.02554g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 111
- 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: 1.9
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
2-(4-Bromobutyl)-2-methyl-1,3-dioxolane Related Literature
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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