Cas no 61549-01-7 (4-Tetradecanone, 2-methyl-)
4-Tetradecanone, 2-methyl- structure
Product Name:4-Tetradecanone, 2-methyl-
CAS No:61549-01-7
MF:C15H30O
MW:226.398105144501
CID:475267
PubChem ID:19931273
Update Time:2025-04-19
4-Tetradecanone, 2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Tetradecanone, 2-methyl-
- 2-methyltetradecan-4-one
- AKOS012718974
- DTXSID90601368
- SCHEMBL8896822
- YVVVNAZSGGAAPW-UHFFFAOYSA-N
- 61549-01-7
-
- Inchi： 1S/C15H30O/c1-4-5-6-7-8-9-10-11-12-15(16)13-14(2)3/h14H,4-13H2,1-3H3
- InChI Key： YVVVNAZSGGAAPW-UHFFFAOYSA-N
- SMILES： O=C(CC(C)C)CCCCCCCCCC
Computed Properties
- Exact Mass: 226.2298
- Monoisotopic Mass: 226.229665576g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 11
- Complexity: 161
- 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: 5.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
4-Tetradecanone, 2-methyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
61549-01-7 (4-Tetradecanone, 2-methyl-) Related Products
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