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
-2.8837 0.6201 -1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7604 -0.5521 -0.6299 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0520 -0.8210 0.5311 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7041 -0.5696 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1254 -0.8853 1.8909 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2195 -0.6458 2.0743 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9522 -0.0956 1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3666 0.2149 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0170 -0.0197 -0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2126 0.8040 -1.2199 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4376 1.5141 -0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4551 0.7336 -2.0693 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2294 -1.4062 -1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7360 -1.3164 2.6761 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6780 -0.8869 3.0062 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0207 0.1023 1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4502 0.2223 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2685 0.4675 -1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 1.9163 -1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8531 0.6035 -2.2318 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