Cas no 7446-86-8 (Pentanedioic acid, 2,4-dimethyl-, bis(oxiranylmethyl) ester)
7446-86-8 structure
Product Name:Pentanedioic acid, 2,4-dimethyl-, bis(oxiranylmethyl) ester
CAS No:7446-86-8
MF:C13H20O6
MW:272.294304847717
CID:540982
PubChem ID:71403974
Update Time:2025-04-19
Pentanedioic acid, 2,4-dimethyl-, bis(oxiranylmethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 2,4-dimethyl-, bis(oxiranylmethyl) ester
- bis(oxiran-2-ylmethyl) 2,4-dimethylpentanedioate
- SCHEMBL25268181
- 7446-86-8
- Bis[(oxiran-2-yl)methyl] 2,4-dimethylpentanedioate
- DTXSID60824845
-
- Inchi： 1S/C13H20O6/c1-8(12(14)18-6-10-4-16-10)3-9(2)13(15)19-7-11-5-17-11/h8-11H,3-7H2,1-2H3
- InChI Key： DXRILYUTSLZRSK-UHFFFAOYSA-N
- SMILES： O1CC1COC(C(C)CC(C)C(=O)OCC1CO1)=O
Computed Properties
- Exact Mass: 272.126
- Monoisotopic Mass: 272.12598835g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 10
- Complexity: 310
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 77.7?2
Experimental Properties
- PSA: 77.66
Pentanedioic acid, 2,4-dimethyl-, bis(oxiranylmethyl) ester Related Literature
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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
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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