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
2.1110 0.0073 2.3668 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3603 0.3124 1.1137 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3550 0.7334 0.3047 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2401 0.0367 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0380 -1.2541 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1584 -1.9487 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0680 -1.3273 -0.8523 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8362 -0.0375 -1.2997 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6897 0.6196 -0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4289 2.0035 -1.3697 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9041 -0.3256 3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1227 0.0747 2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3718 0.2171 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6694 -1.7234 1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3993 -2.9506 0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9752 -1.8248 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5705 0.4311 -1.9641 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3371 2.5050 -1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3407 1.9097 -2.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0263 2.5415 -0.4923 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