Monomers
t-Butoxystyrene
Identifiers
IUPAC name
2-[(2-methylpropan-2-yl)oxy]ethenylbenzene
InchI
InChI=1S/C12H16O/c1-12(2,3)13-10-9-11-7-5-4-6-8-11/h4-10H,1-3H3
InchI Key
FXRQXYSJYZPGJZ-UHFFFAOYSA-N
SMILES
CC(OC=Cc1ccccc1)(C)C
Canonical SMILES
CC(C)(C)OC=CC1=CC=CC=C1
Isomeric SMILES
CC(C)(C)OC=CC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H16O
Heavy Atom Count
13
Molecular Weight
176.259
Exact Molecular Weight
176.1201
Valence Electrons
70
Radical Electrons
0
tPSA
9.23
MolLogP
3.4724
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
29 29 0 0 0 0 0 0 0 0999 V2000
-2.2671 1.2795 -1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0622 0.1703 -0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9315 -0.5780 -0.6720 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4776 -1.6617 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7522 -1.7530 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7931 -0.7738 0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6564 0.4057 -0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7373 1.2872 -0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9672 0.9675 -0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1210 -0.2217 0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0611 -1.0765 0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8845 0.7535 1.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3223 -0.6977 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8595 2.0812 -0.8078 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8479 0.9216 -2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3268 1.7010 -1.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2169 -2.4633 0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9923 -2.6861 1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7449 0.7257 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5948 2.2175 -1.1123 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8104 1.6506 -0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1109 -0.4199 1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2223 -2.0040 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6355 1.8278 0.9855 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8276 0.6594 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0160 0.2815 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1873 0.0126 -0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3483 -1.3952 0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3528 -1.2117 -1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 3
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
2 12 1 0
2 13 1 0
11 6 1 0
1 14 1 0
1 15 1 0
1 16 1 0
4 17 1 0
5 18 1 0
7 19 1 0
8 20 1 0
9 21 1 0
10 22 1 0
11 23 1 0
12 24 1 0
12 25 1 0
12 26 1 0
13 27 1 0
13 28 1 0
13 29 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers