Cas no 55007-46-0 (4-Heptanone, 3-bromo-5,5-diethyl-3-methyl-)
55007-46-0 structure
Product Name:4-Heptanone, 3-bromo-5,5-diethyl-3-methyl-
CAS No:55007-46-0
MF:C12H23BrO
MW:263.214423418045
CID:353067
PubChem ID:71364354
Update Time:2025-04-19
4-Heptanone, 3-bromo-5,5-diethyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Heptanone, 3-bromo-5,5-diethyl-3-methyl-
- 3-bromo-5,5-diethyl-3-methylheptan-4-one
- DTXSID00787829
- 55007-46-0
-
- Inchi： 1S/C12H23BrO/c1-6-11(5,13)10(14)12(7-2,8-3)9-4/h6-9H2,1-5H3
- InChI Key： CZYHJNSDDLLWSO-UHFFFAOYSA-N
- SMILES： BrC(C)(CC)C(C(CC)(CC)CC)=O
Computed Properties
- Exact Mass: 262.09329
- Monoisotopic Mass: 262.09323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 188
- 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: 4.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
4-Heptanone, 3-bromo-5,5-diethyl-3-methyl- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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