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
3.2422 0.1177 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3035 -0.7405 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9498 -0.4570 0.1241 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1742 -0.0657 -0.9859 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2536 0.1938 -0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3477 1.3100 0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0061 -0.9760 -0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0145 1.0911 0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2696 -0.1780 0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5489 -1.7133 -0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6237 0.8379 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 -0.8722 -1.7468 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7624 0.5422 -1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4388 1.5427 0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9548 0.9687 1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8371 2.1910 -0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0617 -0.6482 0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0683 -1.8307 -0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6533 -1.3136 0.8736 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