Cas no 67020-02-4 (4-Pentenoic acid, 2,2-diethyl-)
67020-02-4 structure
Product Name:4-Pentenoic acid, 2,2-diethyl-
CAS No:67020-02-4
MF:C9H16O2
MW:156.222143173218
CID:1714599
PubChem ID:71374933
Update Time:2025-04-21
4-Pentenoic acid, 2,2-diethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pentenoic acid, 2,2-diethyl-
- 2,2-diethylpent-4-enoic acid
- SCHEMBL1716936
- 2,2-diethylallylacetic acid
- 67020-02-4
- DTXSID10797691
- AKOS017531901
- ANDKLBOQBQMTJG-UHFFFAOYSA-N
-
- Inchi： 1S/C9H16O2/c1-4-7-9(5-2,6-3)8(10)11/h4H,1,5-7H2,2-3H3,(H,10,11)
- InChI Key： ANDKLBOQBQMTJG-UHFFFAOYSA-N
- SMILES： OC(C(CC=C)(CC)CC)=O
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 146
- 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: 2.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
4-Pentenoic acid, 2,2-diethyl- 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
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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