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
3.4612 0.0044 0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4002 0.6709 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2533 -0.0366 -0.3649 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0157 0.6170 -0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1552 -0.2494 -0.5563 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1157 -1.5009 0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4150 0.5253 -0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 0.5405 0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4021 -1.0727 0.4341 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4629 1.7496 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0375 1.5282 -0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0996 0.9440 0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1094 -0.5086 -1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0930 -2.4194 -0.3052 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2496 -1.4803 1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0310 -1.5733 0.9442 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1951 0.3184 -0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2308 1.6342 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7245 0.3087 0.8372 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