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
3.1494 -0.2890 -0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4806 0.8722 -0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1391 0.9290 -0.0393 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3228 -0.2260 -0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0848 0.0776 0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7455 1.1132 -0.5442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9149 -1.1620 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6575 -1.2061 -0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1835 -0.3329 -0.6301 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0049 1.7599 -0.6835 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7190 -0.9873 0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3596 -0.7139 -1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0288 0.4904 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4574 2.1277 -0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8432 1.0316 -0.4014 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4885 1.0231 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4205 -1.2854 1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7123 -1.1240 -0.4463 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3205 -2.0981 0.1968 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