Monomers
Isobutyl vinyl ether
Identifiers
IUPAC name
1-ethenoxy-2-methylpropane
InchI
InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3
InchI Key
OZCMOJQQLBXBKI-UHFFFAOYSA-N
SMILES
C=COCC(C)C
Canonical SMILES
CC(C)COC=C
Isomeric SMILES
CC(C)COC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H12O
Heavy Atom Count
7
Molecular Weight
100.161
Exact Molecular Weight
100.0888
Valence Electrons
42
Radical Electrons
0
tPSA
9.23
MolLogP
1.8025
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
19 18 0 0 0 0 0 0 0 0999 V2000
3.3108 0.1404 0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5492 0.0326 -0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2128 0.3875 -0.5440 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1761 -0.5482 -0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1815 0.1123 -0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3254 1.2255 0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2856 -0.8819 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8859 0.5176 1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3418 -0.1432 0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9311 -0.3485 -1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2209 -1.3113 -1.0807 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3413 -0.9866 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3279 0.5631 -1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3247 1.5379 1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9303 0.8890 1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8549 2.1109 0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2444 -0.3795 -0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3678 -1.0864 0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1272 -1.8311 -0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
5 7 1 0
1 8 1 0
1 9 1 0
2 10 1 0
4 11 1 0
4 12 1 0
5 13 1 0
6 14 1 0
6 15 1 0
6 16 1 0
7 17 1 0
7 18 1 0
7 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers