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
3.4597 -0.0928 0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3752 -0.2444 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2086 0.3946 -0.1757 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1584 -0.4265 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0677 0.3756 0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6263 1.1316 -0.4971 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1123 -0.5930 1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5129 0.5197 1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3919 -0.5920 -0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3858 -0.8637 -1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5185 -0.9563 1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0417 -1.1819 -0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8235 1.0785 1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0430 2.0403 -0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6410 1.4960 -0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7005 0.5298 -1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6089 -1.1228 0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8001 -0.1021 1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5459 -1.3906 1.7341 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