Cas no 72414-34-7 (Butanedioic acid, methylene-, bis(cyclohexylmethyl) ester)
72414-34-7 structure
Product Name:Butanedioic acid, methylene-, bis(cyclohexylmethyl) ester
CAS No:72414-34-7
MF:C19H30O4
MW:322.439106464386
CID:544004
PubChem ID:53996114
Update Time:2025-04-19
Butanedioic acid, methylene-, bis(cyclohexylmethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, methylene-, bis(cyclohexylmethyl) ester
- bis(cyclohexylmethyl) 2-methylidenebutanedioate
- DTXSID90708245
- SCHEMBL9638393
- 72414-34-7
-
- Inchi： 1S/C19H30O4/c1-15(19(21)23-14-17-10-6-3-7-11-17)12-18(20)22-13-16-8-4-2-5-9-16/h16-17H,1-14H2
- InChI Key： KIFIQSNPRDDQSQ-UHFFFAOYSA-N
- SMILES： O(C(CC(=C)C(=O)OCC1CCCCC1)=O)CC1CCCCC1
Computed Properties
- Exact Mass: 322.2145
- Monoisotopic Mass: 322.21440943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 9
- Complexity: 404
- 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: 5.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Butanedioic acid, methylene-, bis(cyclohexylmethyl) ester Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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