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
3.0756 0.6534 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4988 -0.5044 -0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1153 -0.5718 -0.7856 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2873 -0.3700 0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1726 -0.4610 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5670 0.5749 -1.0462 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9841 -0.1717 1.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5463 1.5908 -0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1372 0.6872 -0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0079 -1.4529 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4918 -1.2089 1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5319 0.5578 0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3999 -1.4845 -0.3512 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0168 0.4521 -2.0028 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6584 0.4161 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3538 1.5719 -0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9803 0.9324 1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0476 -0.5007 1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5118 -0.7108 2.0670 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