Cas no 63237-52-5 (Tridecanoic acid, 12,12-dimethyl-)
63237-52-5 structure
Product Name:Tridecanoic acid, 12,12-dimethyl-
CAS No:63237-52-5
MF:C15H30O2
MW:242.397505283356
CID:426931
PubChem ID:22251831
Update Time:2025-04-19
Tridecanoic acid, 12,12-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Tridecanoic acid, 12,12-dimethyl-
- 12,12-dimethyltridecanoic acid
- DTXSID30623903
- SCHEMBL7721514
- 13:0(12Me,12Me)
- LMFA01020348
- CHEBI:196025
- 12,12-dimethyl-tridecanoic acid
- 63237-52-5
-
- Inchi: 1S/C15H30O2/c1-15(2,3)13-11-9-7-5-4-6-8-10-12-14(16)17/h4-13H2,1-3H3,(H,16,17)
- InChI Key: DBYDKDYPHZLAMZ-UHFFFAOYSA-N
- SMILES: OC(CCCCCCCCCCC(C)(C)C)=O
Computed Properties
- Exact Mass: 242.2247
- Monoisotopic Mass: 242.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 11
- Complexity: 192
- 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: 5.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Tridecanoic acid, 12,12-dimethyl- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
63237-52-5 (Tridecanoic acid, 12,12-dimethyl-) Related Products
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