Cas no 61940-59-8 (1-(propan-2-yloxy)-3-(prop-2-en-1-yloxy)propan-2-ol)
61940-59-8 structure
Product Name:1-(propan-2-yloxy)-3-(prop-2-en-1-yloxy)propan-2-ol
CAS No:61940-59-8
MF:C9H18O3
MW:174.237423419952
CID:1631091
PubChem ID:112464
Update Time:2025-04-21
1-(propan-2-yloxy)-3-(prop-2-en-1-yloxy)propan-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 1-(propan-2-yloxy)-3-(prop-2-en-1-yloxy)propan-2-ol
- 1-(Allyloxy)-3-isopropoxypropan-2-ol
- 2-propanol, 1-(1-methylethoxy)-3-(2-propen-1-yloxy)-
- 1-Isopropoxy-3-(allyloxy)-2-propanol
- 61940-59-8
- BRN 3536635
- 1-Allyl-3-isopropyl glycerol diether
- 1-[(Propan-2-yl)oxy]-3-[(prop-2-en-1-yl)oxy]propan-2-ol
- DB-312213
- 2-Propanol, 1-allyloxy-3-isopropoxy-
- DTXSID80977483
-
- Inchi： 1S/C9H18O3/c1-4-5-11-6-9(10)7-12-8(2)3/h4,8-10H,1,5-7H2,2-3H3
- InChI Key： PLMMQIFFXIVYQI-UHFFFAOYSA-N
- SMILES： O(C(C)C)CC(COCC=C)O
Computed Properties
- Exact Mass: 174.12564
- Monoisotopic Mass: 174.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 112
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.69
1-(propan-2-yloxy)-3-(prop-2-en-1-yloxy)propan-2-ol 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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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