Cas no 88443-96-3 (Pentanedioic acid, 3-(12-cyclohexyldodecyl)-3-hydroxy-)
88443-96-3 structure
Product Name:Pentanedioic acid, 3-(12-cyclohexyldodecyl)-3-hydroxy-
CAS No:88443-96-3
MF:C23H42O5
MW:398.576588153839
CID:632556
PubChem ID:71318002
Update Time:2025-04-19
Pentanedioic acid, 3-(12-cyclohexyldodecyl)-3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 3-(12-cyclohexyldodecyl)-3-hydroxy-
- 3-(12-cyclohexyldodecyl)-3-hydroxypentanedioic acid
- 88443-96-3
- DTXSID10748188
-
- Inchi： 1S/C23H42O5/c24-21(25)18-23(28,19-22(26)27)17-13-8-6-4-2-1-3-5-7-10-14-20-15-11-9-12-16-20/h20,28H,1-19H2,(H,24,25)(H,26,27)
- InChI Key： SXBVMUSVIPKWQN-UHFFFAOYSA-N
- SMILES： OC(CC(=O)O)(CC(=O)O)CCCCCCCCCCCCC1CCCCC1
Computed Properties
- Exact Mass: 398.30322444g/mol
- Monoisotopic Mass: 398.30322444g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 17
- Complexity: 413
- 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: 7.3
- Topological Polar Surface Area: 94.8?2
Pentanedioic acid, 3-(12-cyclohexyldodecyl)-3-hydroxy- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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