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
2.9331 0.8207 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8960 0.4208 0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4239 -0.8659 0.5166 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0478 -1.1327 0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7672 -0.4180 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2323 -0.7950 -0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6866 1.0829 -0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2994 1.8262 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4067 0.1373 -0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4258 1.1284 1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0671 -2.2309 0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3436 -1.0041 1.6039 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4471 -0.7594 -1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3784 -1.8326 -0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5536 -0.7177 0.7747 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8083 -0.1411 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8416 1.4490 0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5321 1.5087 -0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2253 1.5233 -0.7601 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