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
-2.2438 -1.1197 -0.9337 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4554 0.1555 -0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6194 1.1852 -0.6488 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2256 1.1062 -0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4340 0.0988 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8790 0.0537 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4982 -1.0534 0.4173 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8681 -1.1382 0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6389 -0.1464 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0377 0.9511 -0.7086 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6396 1.0570 -0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8886 0.6557 -0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3087 -0.1112 1.2935 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1887 -1.3724 -1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0432 -1.9843 -0.2529 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3965 -1.0587 -1.6619 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2450 1.9753 -1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1143 -0.7063 0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8662 -1.8126 0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2970 -2.0222 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7217 -0.2617 -0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6446 1.7486 -1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1704 1.9074 -1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9665 1.6255 0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6348 -0.0847 -0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9271 0.8764 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1020 -1.1821 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5310 0.5502 1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2947 0.1073 1.7870 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