Cas no 160310-68-9 (Heptanal, 3-methyl-2-propyl-)
Heptanal, 3-methyl-2-propyl- structure
Product Name:Heptanal, 3-methyl-2-propyl-
CAS No:160310-68-9
MF:C11H22O
MW:170.291783809662
CID:1339439
PubChem ID:71353938
Update Time:2025-04-20
Heptanal, 3-methyl-2-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Heptanal, 3-methyl-2-propyl-
- 3-methyl-2-propylheptanal
- 160310-68-9
- DTXSID40778650
-
- Inchi： 1S/C11H22O/c1-4-6-8-10(3)11(9-12)7-5-2/h9-11H,4-8H2,1-3H3
- InChI Key： YCKRJPHVIHLJAQ-UHFFFAOYSA-N
- SMILES： O=CC(CCC)C(C)CCCC
Computed Properties
- Exact Mass: 170.16716
- Monoisotopic Mass: 170.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 110
- 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: 4.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Heptanal, 3-methyl-2-propyl- Related Literature
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
160310-68-9 (Heptanal, 3-methyl-2-propyl-) Related Products
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