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
Resources
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
2.5370 1.0995 1.1093 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4879 -0.0588 0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6025 -1.0217 0.6421 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2669 -0.6075 0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5754 -0.8412 -0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9664 -0.4497 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8392 -0.7187 -1.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1704 -0.3661 -0.9998 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6116 0.2620 0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7665 0.5369 1.1847 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4237 0.1803 1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1235 0.4232 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8927 -0.6204 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4625 1.6834 0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6292 1.7025 1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6509 0.6634 2.1314 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0726 -0.1349 1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2778 -1.3404 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4377 -1.2221 -1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7970 -0.6023 -1.8483 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6565 0.5378 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1033 1.0383 2.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7785 0.4096 1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0145 0.8611 -1.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7594 -0.3881 -1.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2940 1.1776 -1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3207 -0.6530 1.0841 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8235 -1.6285 -0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4664 0.0778 -0.6075 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