Cas no 63608-61-7 (Pentanoic acid, 2,2-dimethoxy-, methyl ester)
63608-61-7 structure
Product Name:Pentanoic acid, 2,2-dimethoxy-, methyl ester
CAS No:63608-61-7
MF:C8H16O4
MW:176.210243225098
CID:426117
PubChem ID:12456494
Update Time:2025-04-19
Pentanoic acid, 2,2-dimethoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 2,2-dimethoxy-, methyl ester
- methyl 2,2-dimethoxypentanoate
- 63608-61-7
- DTXSID10499022
-
- Inchi： 1S/C8H16O4/c1-5-6-8(11-3,12-4)7(9)10-2/h5-6H2,1-4H3
- InChI Key： DQMKFQVLGNDMFT-UHFFFAOYSA-N
- SMILES： O(C)C(C(=O)OC)(CCC)OC
Computed Properties
- Exact Mass: 176.10488
- Monoisotopic Mass: 176.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 140
- 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: 1.1
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
Pentanoic acid, 2,2-dimethoxy-, methyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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