Cas no 17081-92-4 (Dodecane, 1-bromo-3,7,11-trimethyl-)
17081-92-4 structure
Product Name:Dodecane, 1-bromo-3,7,11-trimethyl-
CAS No:17081-92-4
MF:C15H31Br
MW:291.310644388199
CID:1353200
PubChem ID:13191850
Update Time:2025-04-20
Dodecane, 1-bromo-3,7,11-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Dodecane, 1-bromo-3,7,11-trimethyl-
- 1-bromo-3,7,11-trimethyldodecane
- YCOSJOWTQIBSRE-UHFFFAOYSA-N
- 17081-92-4
- DTXSID50526088
- SCHEMBL95535
-
- Inchi： 1S/C15H31Br/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13-15H,5-12H2,1-4H3
- InChI Key： YCOSJOWTQIBSRE-UHFFFAOYSA-N
- SMILES： BrCCC(C)CCCC(C)CCCC(C)C
Computed Properties
- Exact Mass: 290.16103
- Monoisotopic Mass: 290.16091g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 16
- Rotatable Bond Count: 10
- Complexity: 142
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.5
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Dodecane, 1-bromo-3,7,11-trimethyl- Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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