Cas no 55095-03-9 (Pentanoic acid,3-ethyl-3,5-dihydroxy-)
55095-03-9 structure
Product Name:Pentanoic acid,3-ethyl-3,5-dihydroxy-
CAS No:55095-03-9
MF:C7H14O4
MW:162.183662891388
CID:367986
PubChem ID:3080831
Update Time:2025-04-19
Pentanoic acid,3-ethyl-3,5-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,3-ethyl-3,5-dihydroxy-
- 3-ethyl-3,5-dihydroxypentanoic acid
- homomevalonic acid
- Homomevalonate
- Pentanoic acid, 3-ethyl-3,5-dihydroxy-
- CHEMBL609621
- 55095-03-9
- DTXSID50970461
-
- Inchi： 1S/C7H14O4/c1-2-7(11,3-4-8)5-6(9)10/h8,11H,2-5H2,1H3,(H,9,10)
- InChI Key： INOVYOSRBMQWPJ-UHFFFAOYSA-N
- SMILES： OC(CC(=O)O)(CC)CCO
Computed Properties
- Exact Mass: 162.08922
- Monoisotopic Mass: 162.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 134
- 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: -0.5
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- Density: 1.212
- Boiling Point: 368.2°C at 760 mmHg
- Flash Point: 190.7°C
- Refractive Index: 1.496
- PSA: 77.76
Pentanoic acid,3-ethyl-3,5-dihydroxy- Related Literature
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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