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
3.4030 -0.4721 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0568 0.3135 0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8725 0.9795 0.2531 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6202 0.3374 0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5798 -1.0400 0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6501 -1.6761 0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8180 -0.9193 0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7928 0.4572 0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5457 1.0738 0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0541 1.2600 0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3436 -1.0145 -0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7099 -0.5699 -1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7411 0.4177 1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5156 -1.5784 0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6937 -2.7654 0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7967 -1.4024 0.5103 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5139 2.1396 0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7807 2.2898 0.7283 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3725 1.3635 -0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8244 0.8060 1.0073 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