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
-2.6754 -1.5943 -0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5997 -0.2536 0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4627 -0.2347 1.1618 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1743 -0.4317 0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6589 0.5594 0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0244 0.3823 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9002 1.4802 0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1974 1.3799 -0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7131 0.1882 -0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8614 -0.8908 -0.6983 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5386 -0.8074 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8149 0.0657 1.1544 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3920 0.8433 -0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7082 -1.9436 -0.5224 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1804 -2.3375 0.3248 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0719 -1.5297 -1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0936 -1.4091 0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3300 1.5537 1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4777 2.4244 0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8463 2.2664 -0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7251 0.0579 -1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2084 -1.8714 -1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9108 -1.7004 -0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4249 -0.8418 1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4460 0.8627 0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5567 0.4615 2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7740 0.5275 -1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2886 1.0399 -0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9161 1.7530 -0.3680 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