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
3.3062 0.7279 -0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3782 -0.1890 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0267 0.0559 -0.2233 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1167 -0.7003 0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3182 -0.3488 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7022 -0.5534 -1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6931 1.0196 0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0613 1.7342 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3577 0.5308 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7187 -1.1598 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2928 -0.4668 1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2819 -1.7804 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9388 -1.0762 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5039 -1.5964 -1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2196 0.2027 -1.8504 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7970 -0.4064 -1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 1.1802 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3396 1.7684 -0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8009 1.0577 0.8342 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