Cas no 89139-90-2 (1,3-Benzodioxole, 5-decyl-)
1,3-Benzodioxole, 5-decyl- structure
Product Name:1,3-Benzodioxole, 5-decyl-
CAS No:89139-90-2
MF:C17H26O2
MW:262.387145519257
CID:610829
PubChem ID:16122269
Update Time:2025-04-19
1,3-Benzodioxole, 5-decyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole, 5-decyl-
- 5-decyl-1,3-benzodioxole
- 5-DECYL-2H-1,3-BENZODIOXOLE
- DTXSID40583089
- 89139-90-2
-
- Inchi： 1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-15-11-12-16-17(13-15)19-14-18-16/h11-13H,2-10,14H2,1H3
- InChI Key： NZPVJNJHHDLBCQ-UHFFFAOYSA-N
- SMILES： O1COC2=CC=C(C=C12)CCCCCCCCCC
Computed Properties
- Exact Mass: 262.193280068g/mol
- Monoisotopic Mass: 262.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 229
- 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: 7
- Topological Polar Surface Area: 18.5?2
1,3-Benzodioxole, 5-decyl- Related Literature
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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