Cas no 38975-38-1 (Octanoic acid, 3,7-dimethyl-6-oxo-, (3R)-)
38975-38-1 structure
Product Name:Octanoic acid, 3,7-dimethyl-6-oxo-, (3R)-
CAS No:38975-38-1
MF:C10H18O3
MW:186.248123645782
CID:1495182
PubChem ID:10856203
Update Time:2025-04-21
Octanoic acid, 3,7-dimethyl-6-oxo-, (3R)- Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 3,7-dimethyl-6-oxo-, (3R)-
- DTXSID00446025
- 38975-38-1
- (3R)-3,7-dimethyl-6-oxooctanoic acid
- SCHEMBL6858088
-
- Inchi： 1S/C10H18O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)/t8-/m1/s1
- InChI Key： SCOSFCLSJUKLDZ-MRVPVSSYSA-N
- SMILES： O=C(C(C)C)CC[C@@H](C)CC(=O)O
Computed Properties
- Exact Mass: 186.12564
- Monoisotopic Mass: 186.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 185
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Octanoic acid, 3,7-dimethyl-6-oxo-, (3R)- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
38975-38-1 (Octanoic acid, 3,7-dimethyl-6-oxo-, (3R)-) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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