Cas no 16969-31-6 (1-Butene,1-ethoxy-3-methyl-, (1Z)-)
16969-31-6 structure
Product Name:1-Butene,1-ethoxy-3-methyl-, (1Z)-
CAS No:16969-31-6
MF:C7H14O
MW:114.185462474823
CID:196140
PubChem ID:5462939
Update Time:2025-04-19
1-Butene,1-ethoxy-3-methyl-, (1Z)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butene,1-ethoxy-3-methyl-, (1Z)-
- 1-ethoxy-3-methylbut-1-ene
- cis-(3-Methyl-1-butenyl) ethyl ether
- 16969-31-6
-
- Inchi： 1S/C7H14O/c1-4-8-6-5-7(2)3/h5-7H,4H2,1-3H3/b6-5-
- InChI Key： KLKHJTPIDMZMBB-WAYWQWQTSA-N
- SMILES： O(CC)/C=C\C(C)C
Computed Properties
- Exact Mass: 114.10452
- Monoisotopic Mass: 114.104465
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 64.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 9.2
- XLogP3: 2.2
Experimental Properties
- Density: 0.79
- Boiling Point: 117.5°Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.415
- PSA: 9.23
1-Butene,1-ethoxy-3-methyl-, (1Z)- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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