Monomers
4-Ethoxystyrene
Identifiers
IUPAC name
1-ethenyl-4-ethoxybenzene
InchI
InChI=1S/C10H12O/c1-3-9-5-7-10(8-6-9)11-4-2/h3,5-8H,1,4H2,2H3
InchI Key
OBRYRJYZWVLVLF-UHFFFAOYSA-N
SMILES
CCOc1ccc(cc1)C=C
Canonical SMILES
CCOC1=CC=C(C=C1)C=C
Isomeric SMILES
CCOC1=CC=C(C=C1)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H12O
Heavy Atom Count
11
Molecular Weight
148.205
Exact Molecular Weight
148.0888
Valence Electrons
58
Radical Electrons
0
tPSA
9.23
MolLogP
2.7283
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
23 23 0 0 0 0 0 0 0 0999 V2000
3.3731 -0.4001 -0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9226 -0.7671 1.0267 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6123 -1.2257 0.9843 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5067 -0.5219 0.5623 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6323 0.7782 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4866 1.4692 -0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7516 0.8686 -0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8319 -0.4344 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7333 -1.1471 0.5811 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8936 1.6487 -0.7406 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1245 1.1940 -0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8130 0.6060 -0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1812 -1.1398 -0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5843 -0.4986 -1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0120 0.1178 1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5538 -1.5495 1.5029 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5848 1.2777 0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 2.4903 -0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8087 -0.9390 0.1753 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7884 -2.1725 0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7185 2.6746 -1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3327 0.1889 -0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9125 1.8390 -1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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
7 10 1 0
10 11 2 3
9 4 1 0
1 12 1 0
1 13 1 0
1 14 1 0
2 15 1 0
2 16 1 0
5 17 1 0
6 18 1 0
8 19 1 0
9 20 1 0
10 21 1 0
11 22 1 0
11 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers