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
3.0853 -0.1390 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2821 -1.1850 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9647 -1.1327 0.1301 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3425 0.1319 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1062 -0.0117 0.6952 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6696 1.3894 0.7583 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8727 -0.7812 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1174 -0.1628 -0.5099 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7465 0.8094 0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6486 -2.1126 -0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8634 0.7201 0.9966 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3681 0.6705 -0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1494 -0.5530 1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8566 2.0686 1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5748 1.4543 1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9408 1.6738 -0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4442 -0.0768 -1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1891 -1.3405 -1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6154 -1.4228 0.1241 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