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
-3.8009 0.5681 -0.9686 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6617 0.0463 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4799 0.1982 -0.8331 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2179 -0.1704 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8241 0.5219 -0.7633 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1981 0.2311 -0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2572 1.0039 -0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5671 0.7765 -0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8859 -0.2545 0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8488 -1.0313 0.8878 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5201 -0.7989 0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8603 -1.4164 0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6813 0.8366 1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7883 0.4073 -0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6238 1.6220 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7638 -0.0091 -1.9114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1573 -1.0067 0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6872 1.3542 -1.4387 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0151 1.8265 -1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3802 1.3859 -0.8015 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8993 -0.4681 0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0747 -1.8442 1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7233 -1.4267 0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8661 -1.7215 -0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0891 -2.0473 -0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8399 -1.6207 1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6921 0.7153 1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4525 1.8889 0.9394 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9061 0.4330 1.8511 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