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
3.1339 0.7039 0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2969 0.3321 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9417 0.3522 -0.0256 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1289 -0.5723 -0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3244 -0.4598 -0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9008 0.8855 -0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4233 -0.7813 1.1474 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2043 0.7128 0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8001 1.0198 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7015 0.0306 -1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5377 -1.5819 -0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2809 -0.3666 -1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8734 -1.2601 -0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0150 0.8057 -0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4913 1.6117 0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6893 1.2446 -1.6163 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1979 0.1113 1.7407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6852 -1.5684 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4253 -1.2196 1.3986 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