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
3.9925 0.1401 0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9408 -0.2583 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 0.5644 -0.2713 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5341 0.0876 -0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3604 -1.2385 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9550 -1.6765 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0359 -0.8443 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8253 0.4787 -0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5434 0.9284 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9782 1.4109 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8368 -0.5211 0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0166 1.1286 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9037 -1.2711 -0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1909 -1.9238 0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1509 -2.7232 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0620 -1.1961 0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3229 1.9716 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0412 2.0730 0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7738 2.0187 -1.2835 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9304 0.8508 -0.4447 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