Cas no 53146-45-5 (2-Propanol, 1-butoxy-3-(2-propenyloxy)-)
53146-45-5 structure
Product Name:2-Propanol, 1-butoxy-3-(2-propenyloxy)-
CAS No:53146-45-5
MF:C10H20O3
MW:188.264003753662
CID:1580900
PubChem ID:13805865
Update Time:2025-04-21
2-Propanol, 1-butoxy-3-(2-propenyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol, 1-butoxy-3-(2-propenyloxy)-
- 1-butoxy-3-prop-2-enoxypropan-2-ol
- 53146-45-5
- SCHEMBL17889168
- 1-Butoxy-3-[(prop-2-en-1-yl)oxy]propan-2-ol
- DTXSID30550043
-
- Inchi： 1S/C10H20O3/c1-3-5-7-13-9-10(11)8-12-6-4-2/h4,10-11H,2-3,5-9H2,1H3
- InChI Key： DUHBCTOSRLCNDL-UHFFFAOYSA-N
- SMILES： O(CCCC)CC(COCC=C)O
Computed Properties
- Exact Mass: 188.1413
- Monoisotopic Mass: 188.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 9
- Complexity: 115
- 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: 1.2
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.69
2-Propanol, 1-butoxy-3-(2-propenyloxy)- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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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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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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