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
-3.8218 -0.7631 1.0246 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6310 -0.1330 0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5141 -0.9573 0.5534 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2475 -0.6735 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7932 -0.5582 0.8275 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1288 -0.2674 0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1563 -0.1699 1.3125 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4354 0.1073 0.9054 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6904 0.2884 -0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7027 0.2000 -1.3744 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4178 -0.0808 -0.9425 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9052 0.1059 -1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3010 1.2335 0.9465 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5786 0.0043 1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3032 -1.4776 0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5066 -1.3884 1.8988 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1523 -0.5496 -1.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6241 -0.6980 1.9113 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9237 -0.3179 2.3616 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2566 0.1883 1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6915 0.5051 -0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8933 0.3425 -2.4464 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6420 -0.1473 -1.7107 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7532 -0.7898 -1.7543 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9140 0.5034 -1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1534 0.8735 -1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2291 1.4156 0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9252 2.0132 0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4198 1.1909 2.0390 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