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
-2.9021 -0.1083 1.3549 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6130 -0.2438 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4713 -1.0330 -0.3212 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2189 -0.6852 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7723 -0.5285 -0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1132 -0.1682 -0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1213 -0.0177 -1.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4207 0.3221 -0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7394 0.5222 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.3927 1.4276 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4862 0.0455 1.0769 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3834 1.1518 -0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7705 -0.8965 -0.8567 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9957 -0.0327 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4199 0.8126 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4746 -0.9649 1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0774 -0.5500 1.2538 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5816 -0.6741 -1.7013 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8263 -0.1877 -2.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1142 0.4087 -1.6983 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7454 0.7882 0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0449 0.5520 2.4852 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7494 -0.0557 1.8614 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7674 1.7055 0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8958 1.0488 -1.6493 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3615 1.6842 -0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3739 -0.1532 -1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3964 -1.6505 -1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3932 -1.4843 -0.1307 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