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
-3.2362 0.0149 0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0583 -0.8890 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0697 -0.3490 -1.1458 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7517 -0.1345 -0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2749 -0.4527 0.4686 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0520 -0.2161 0.7769 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9266 0.3375 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4547 0.6645 -1.4222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1391 0.4195 -1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3117 0.5955 0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8354 0.3218 1.3065 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2481 0.4863 0.7515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5062 0.8237 0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1886 -0.5561 1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8314 -1.9302 0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9946 -0.9644 -0.9392 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9110 -0.8930 1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3679 -0.4852 1.7731 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1395 1.0990 -2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2634 0.6608 -2.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9428 1.0278 -0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2674 -0.1090 2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8968 0.5280 1.5051 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