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
3.0584 -0.6552 -0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5751 0.3099 0.3527 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3606 0.9028 0.0906 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1887 0.1593 0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1546 -1.1870 0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0531 -1.8729 0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2562 -1.2404 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2204 0.1028 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0273 0.7827 -0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9968 2.2247 -0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9876 -1.1505 -0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4690 -0.9951 -1.2541 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1405 0.6509 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0919 -1.7041 0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0906 -2.9242 0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1947 -1.8007 0.2341 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1625 0.5823 -0.3073 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0096 2.6543 -0.2994 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2834 2.7717 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7320 2.3887 -1.5020 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