Monomers
1-(Ethenyloxy)-3-methylbenzene
Identifiers
IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
20 20 0 0 0 0 0 0 0 0999 V2000
3.5034 0.2109 0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9157 0.4905 -0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6708 1.1131 -0.4631 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5458 0.3396 -0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6179 -1.0042 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5068 -1.7760 0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7334 -1.1530 0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8017 0.1909 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6826 0.9730 -0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1208 0.9114 -0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4684 -0.2724 0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0854 0.4330 1.7224 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4061 0.2328 -1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5866 -1.5149 0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4203 -2.8514 0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6353 -1.7172 0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7330 2.0347 -0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0258 1.7660 0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9540 0.2404 0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1863 1.3529 -1.2361 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 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
8 10 1 0
9 4 1 0
1 11 1 0
1 12 1 0
2 13 1 0
5 14 1 0
6 15 1 0
7 16 1 0
9 17 1 0
10 18 1 0
10 19 1 0
10 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers