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
-2.0484 -0.7198 1.4335 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5407 -0.1254 0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6556 -0.3620 -0.9346 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3269 0.0813 -0.9511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5708 -0.7077 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9744 -0.3641 -0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4141 0.8128 -0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7762 1.0923 -0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6521 0.2132 -0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1862 -0.9572 0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8592 -1.2716 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6031 1.3814 0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8927 -0.6762 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1691 -1.8020 1.4647 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0139 -0.3630 1.5751 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6446 -0.2860 2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1753 1.0300 -1.4054 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2757 -1.6651 0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7190 1.4976 -1.3462 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0928 2.0416 -1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7096 0.4344 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8470 -1.7003 0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4940 -2.2168 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5469 1.6897 0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4745 1.9219 -0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7571 1.6831 1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5815 0.1893 -0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8680 -1.1568 -1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2727 -1.4224 0.4416 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