Cas no 88443-91-8 (Pentanedioic acid, 3-(6-cyclohexylhexyl)-3-hydroxy-)
88443-91-8 structure
Product Name:Pentanedioic acid, 3-(6-cyclohexylhexyl)-3-hydroxy-
CAS No:88443-91-8
MF:C17H30O5
MW:314.417106151581
CID:632559
PubChem ID:70477579
Update Time:2025-04-19
Pentanedioic acid, 3-(6-cyclohexylhexyl)-3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 3-(6-cyclohexylhexyl)-3-hydroxy-
- 3-(6-cyclohexylhexyl)-3-hydroxypentanedioic acid
- 88443-91-8
- DTXSID50742100
- SCHEMBL10940711
-
- Inchi： 1S/C17H30O5/c18-15(19)12-17(22,13-16(20)21)11-7-2-1-4-8-14-9-5-3-6-10-14/h14,22H,1-13H2,(H,18,19)(H,20,21)
- InChI Key： LRUUPJSZKQGLHN-UHFFFAOYSA-N
- SMILES： OC(CC(=O)O)(CC(=O)O)CCCCCCC1CCCCC1
Computed Properties
- Exact Mass: 314.20932405g/mol
- Monoisotopic Mass: 314.20932405g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 11
- Complexity: 331
- 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: 4
- Topological Polar Surface Area: 94.8?2
Pentanedioic acid, 3-(6-cyclohexylhexyl)-3-hydroxy- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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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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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
88443-91-8 (Pentanedioic acid, 3-(6-cyclohexylhexyl)-3-hydroxy-) 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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