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
3.4810 -0.5445 0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2464 -0.6799 0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2940 0.2758 0.4791 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0126 -0.0815 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3169 -1.4199 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5990 -1.7385 -0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4885 -0.7380 -0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1668 0.6024 -0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8862 0.9180 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5113 2.3569 -0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2163 -1.2798 0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7636 0.3035 -0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9797 -1.5258 1.3937 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4153 -2.1925 0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8577 -2.7897 -0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4946 -1.0240 -1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9109 1.3513 -0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5605 2.4561 0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6259 2.8463 -1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1114 2.9038 0.6093 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