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
3.5878 0.3407 0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8960 -0.7734 0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6070 -0.8655 0.8597 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5106 -0.3737 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7279 0.2116 -1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3776 0.6907 -1.7423 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6510 0.5826 -1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8578 -0.0046 0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7518 -0.4832 0.7102 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1909 -0.1441 0.6683 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5836 0.3559 -0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1762 1.2677 0.7917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3331 -1.6584 -0.0964 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7326 0.2814 -1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2656 1.1586 -2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5310 0.9531 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9081 -0.9507 1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4065 -1.2336 0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2246 0.3402 1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9900 0.3047 0.0809 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