Cas no 88443-97-4 (Pentanedioic acid, 3-(11-cyclohexylpentadecyl)-3-hydroxy-)
88443-97-4 structure
Product Name:Pentanedioic acid, 3-(11-cyclohexylpentadecyl)-3-hydroxy-
CAS No:88443-97-4
MF:C26H48O5
MW:440.656329154968
CID:632555
PubChem ID:70477490
Update Time:2025-04-19
Pentanedioic acid, 3-(11-cyclohexylpentadecyl)-3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 3-(11-cyclohexylpentadecyl)-3-hydroxy-
- 3-(11-cyclohexylpentadecyl)-3-hydroxypentanedioic acid
- 88443-97-4
- DTXSID40742098
- SCHEMBL10940210
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- Inchi： 1S/C26H48O5/c1-2-3-15-22(23-17-12-10-13-18-23)16-11-8-6-4-5-7-9-14-19-26(31,20-24(27)28)21-25(29)30/h22-23,31H,2-21H2,1H3,(H,27,28)(H,29,30)
- InChI Key： DTTIOQBCPQIKSL-UHFFFAOYSA-N
- SMILES： OC(CC(=O)O)(CC(=O)O)CCCCCCCCCCC(CCCC)C1CCCCC1
Computed Properties
- Exact Mass: 440.35017463g/mol
- Monoisotopic Mass: 440.35017463g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 31
- Rotatable Bond Count: 19
- Complexity: 468
- 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: 8.6
- Topological Polar Surface Area: 94.8?2
Pentanedioic acid, 3-(11-cyclohexylpentadecyl)-3-hydroxy- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
88443-97-4 (Pentanedioic acid, 3-(11-cyclohexylpentadecyl)-3-hydroxy-) Related Products
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