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
3.4294 0.8309 -0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5013 0.3114 -1.1441 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8930 -0.8673 -0.7444 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5901 -0.8568 -0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0260 -2.0207 0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3332 -2.0039 0.5415 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0669 -0.8437 0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4254 0.3104 0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1201 0.3219 -0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1760 1.5947 0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7161 0.3581 0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9088 1.7406 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1951 0.7866 -2.0855 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5058 -2.9784 0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8275 -2.9274 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0900 -0.7927 0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3472 1.2718 -0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2296 1.4794 -0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6764 2.3396 -0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1157 1.9454 1.3012 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