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
-2.1581 -1.3344 -1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4692 -0.2208 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6679 -0.1689 1.0050 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3249 -0.0215 1.1228 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4738 -0.0176 0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9298 0.1386 0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6126 0.2981 1.3436 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9866 0.4384 1.3233 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7039 0.4250 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0557 0.2687 -1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6892 0.1297 -1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5263 1.0991 -0.8767 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9022 -0.4490 0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4030 -2.0000 -0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0637 -1.9473 -1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8593 -0.9737 -2.0819 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1034 0.0962 2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0635 -0.1361 -0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0864 0.3132 2.2664 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5432 0.5651 2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7919 0.5364 0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5977 0.2534 -1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2005 0.0072 -1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4269 1.9050 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7839 1.1928 -1.6676 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5269 1.1274 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5505 -0.7853 -0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2548 0.4885 0.8709 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9207 -1.2282 1.1747 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