Cas no 119290-10-7 (Pentanoic acid,5-(octyloxy)-)
Pentanoic acid,5-(octyloxy)- structure
Product Name:Pentanoic acid,5-(octyloxy)-
CAS No:119290-10-7
MF:C13H26O3
MW:230.343744754791
CID:165615
PubChem ID:452109
Update Time:2025-04-19
Pentanoic acid,5-(octyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,5-(octyloxy)-
- 5-octoxypentanoic acid
- 5-Octanoxypentanoic acid
- 6-Oxatetradecanoic acid
- Pentanoic acid, 5-(octyloxy)-
- 6-Oxamyristic acid
- 6-OxaMyr
- 5-(octyloxy)pentanoic acid
- SCHEMBL8087585
- 119290-10-7
- 5-octyloxypentanoic acid
- LETKNKUAHDGLPM-UHFFFAOYSA-N
- DTXSID50152381
- O6
-
- Inchi： 1S/C13H26O3/c1-2-3-4-5-6-8-11-16-12-9-7-10-13(14)15/h2-12H2,1H3,(H,14,15)
- InChI Key： LETKNKUAHDGLPM-UHFFFAOYSA-N
- SMILES： O(CCCCC(=O)O)CCCCCCCC
Computed Properties
- Exact Mass: 230.18828
- Monoisotopic Mass: 230.18819469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 12
- Complexity: 157
- 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: 3.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Pentanoic acid,5-(octyloxy)- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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