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
-4.2406 -0.6925 -0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7334 -0.8160 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1019 0.3679 0.0445 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7225 0.4106 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0469 -0.6555 -0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4447 -0.5805 -0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0629 0.5714 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2760 1.6633 0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0862 1.5520 0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5066 0.7425 0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3151 -0.2154 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6978 -1.6041 0.0994 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5780 0.1971 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5869 -0.6270 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3882 -1.1263 -1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4573 -1.6172 0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4613 -1.5584 -0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0160 -1.4424 -0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7710 2.5874 0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6709 2.4299 0.7892 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9392 1.6701 0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9442 -1.1588 -0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4023 -0.0982 -0.1241 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