Cas no 27479-35-2 (Hexanedioic acid,bis(methylcyclohexyl) ester (9CI))
27479-35-2 structure
Product Name:Hexanedioic acid,bis(methylcyclohexyl) ester (9CI)
CAS No:27479-35-2
MF:C20H34O4
MW:338.481566905975
CID:275600
PubChem ID:3015380
Update Time:2025-04-19
Hexanedioic acid,bis(methylcyclohexyl) ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Hexanedioic acid,bis(methylcyclohexyl) ester (9CI)
- bis(1-methylcyclohexyl) hexanedioate
- Bis(methylcyclohexyl) adipate
- NS00028312
- EINECS 248-488-6
- DTXSID00181904
- di(methylcyclohexyl) adipate
- Bis(1-methylcyclohexyl) adipate
- SCHEMBL1447086
- 27479-35-2
-
- Inchi： 1S/C20H34O4/c1-19(13-7-3-8-14-19)23-17(21)11-5-6-12-18(22)24-20(2)15-9-4-10-16-20/h3-16H2,1-2H3
- InChI Key： QNQFYZMDBGPUMK-UHFFFAOYSA-N
- SMILES： O(C(CCCCC(=O)OC1(C)CCCCC1)=O)C1(C)CCCCC1
Computed Properties
- Exact Mass: 338.24582
- Monoisotopic Mass: 338.24570956g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 9
- Complexity: 377
- 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: 4.6
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Hexanedioic acid,bis(methylcyclohexyl) ester (9CI) Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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