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
-2.4978 1.1209 -1.5775 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2161 0.4181 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8957 0.7166 0.1805 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4374 0.1659 1.3546 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7600 -0.2755 1.6166 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9074 -0.2952 0.7339 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9169 0.1601 -0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0853 0.0933 -1.3216 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2525 -0.4284 -0.8091 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2655 -0.8947 0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1064 -0.8151 1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3032 -1.0668 -0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1750 0.9244 0.7585 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5743 1.3124 -2.1795 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0418 2.0834 -1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1707 0.5194 -2.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2133 0.1114 2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9091 -0.6795 2.6307 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0264 0.5715 -0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0981 0.4519 -2.3402 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1463 -0.4760 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1713 -1.3099 0.9181 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1639 -1.1931 2.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8585 -1.3477 -1.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2825 -1.5322 -0.6152 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8606 -1.5731 0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7309 1.8056 1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4426 0.1053 1.4329 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1086 1.3268 0.2923 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