Monomers
1-Ethenoxy-2-methylbenzene
Identifiers
IUPAC name
1-ethenoxy-2-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
InchI Key
TWWWGBSUPNNTMJ-UHFFFAOYSA-N
SMILES
C=COc1ccccc1C
Canonical SMILES
CC1=CC=CC=C1OC=C
Isomeric SMILES
CC1=CC=CC=C1OC=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
3.0996 0.4643 0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5159 -0.5779 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2169 -0.9411 0.2352 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1276 -0.1817 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3561 1.0094 -0.8421 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7374 1.7441 -1.2404 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0148 1.2967 -0.9792 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2380 0.1066 -0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1472 -0.6389 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3649 -1.9411 0.8165 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1285 0.7245 0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5561 1.0955 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1102 -1.1798 -0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3829 1.3474 -1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5365 2.6782 -1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8606 1.9142 -1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2594 -0.2141 -0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7906 -1.7307 1.8171 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4166 -2.4711 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1277 -2.5046 0.2194 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
9 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
8 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