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
-2.1712 1.4917 1.2937 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2025 0.3711 0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8940 0.0496 -0.0952 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4911 -0.8881 -0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7247 -1.2308 -1.2104 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9168 -0.7073 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9036 0.2681 0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0842 0.7485 0.9422 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3054 0.2463 0.5563 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3331 -0.7237 -0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1858 -1.1907 -0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8805 0.9243 -1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0038 -0.7984 0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1985 1.4093 1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2601 2.4599 0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9793 1.3473 2.0536 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2931 -1.3969 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8889 -2.0209 -1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0109 0.7260 0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0518 1.5064 1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1917 0.6382 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3062 -1.1334 -0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2442 -1.9709 -1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5932 2.0059 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4771 0.3617 -1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9602 0.7829 -0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7923 -1.0758 0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5563 -0.5180 1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3944 -1.6825 1.0015 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