Monomers
2-(4-Ethenylphenyl)oxirane
Identifiers
IUPAC name
2-(4-ethenylphenyl)oxirane
InchI
InChI=1S/C10H10O/c1-2-8-3-5-9(6-4-8)10-7-11-10/h2-6,10H,1,7H2
InchI Key
DENMIBABNWPFEG-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C1OC1
Canonical SMILES
C=CC1=CC=C(C=C1)C2CO2
Isomeric SMILES
C=CC1=CC=C(C=C1)C2CO2
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H10O
Heavy Atom Count
11
Molecular Weight
146.189
Exact Molecular Weight
146.0732
Valence Electrons
56
Radical Electrons
0
tPSA
12.53
MolLogP
2.4009
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1
MOL File
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
-3.9192 -0.0014 0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9121 0.7108 -0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5090 0.3164 -0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1104 -0.8904 0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2495 -1.2171 0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2294 -0.3693 -0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8389 0.8400 -0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5005 1.1521 -0.6808 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6735 -0.6920 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2325 -1.2273 1.0778 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4696 0.1345 0.8989 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9299 0.3343 0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7338 -0.9701 0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1242 1.6965 -0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8257 -1.5965 0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5705 -2.1610 0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6076 1.5122 -1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8089 2.0994 -1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1255 -0.9141 -1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9229 0.7693 1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4540 0.4737 0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 1 0
10 11 1 0
8 3 1 0
11 9 1 0
1 12 1 0
1 13 1 0
2 14 1 0
4 15 1 0
5 16 1 0
7 17 1 0
8 18 1 0
9 19 1 0
11 20 1 0
11 21 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers