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
3.4677 -0.7191 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4348 -0.3138 -0.6193 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1649 -0.5083 -0.1235 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2017 0.4913 -0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1473 0.1333 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6780 -1.1637 -0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0775 1.2820 -0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3067 -1.1957 1.0295 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4939 -0.5976 -0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6065 0.1617 -1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5039 1.4607 0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0745 0.6645 -1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0358 0.0674 1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5023 -0.9360 -1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8830 -1.7636 -0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1203 -1.7278 0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2072 1.2467 -1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5574 2.2081 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0458 1.2098 0.4111 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