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
-2.7109 -1.1000 -0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6083 0.2042 -0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4527 0.9159 -0.6259 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1906 0.3339 -0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8569 1.0105 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1484 0.3896 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3457 -0.9457 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5939 -1.4865 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6484 -0.6885 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4599 0.6756 0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2159 1.2198 0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5010 -0.1288 1.2371 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8097 1.0497 -0.5384 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1814 -1.8788 -0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2048 -1.0429 -1.9911 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7943 -1.3505 -1.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1549 -0.7175 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7588 2.0995 0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5535 -1.5886 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7242 -2.5418 -0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6107 -1.1236 0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2956 1.3066 0.9196 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0527 2.2649 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3695 -0.7419 1.5624 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3786 0.7530 1.8795 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5914 -0.7647 1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7435 0.4607 -0.6714 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6081 1.5746 -1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9651 1.8412 0.2116 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