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
-3.1031 -1.0915 0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1928 0.0605 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8773 -0.4013 -0.1789 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3914 -0.8366 1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8543 -0.8382 1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9564 -0.3679 0.5526 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2463 -0.4327 1.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3098 -0.0038 0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1882 0.4990 -0.9156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9323 0.5774 -1.4666 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8355 0.1395 -0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3326 1.2340 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5926 0.5047 -1.6373 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5761 -2.0714 0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4074 -0.9056 1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9832 -1.1804 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1080 -1.2330 1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1252 -1.2249 2.3984 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3882 -0.8333 2.0953 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2943 -0.0835 0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0411 0.8285 -1.4723 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8334 0.9744 -2.4607 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8835 0.2179 -1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2938 0.8771 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4763 1.9183 0.4954 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2738 1.7417 0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5677 1.0630 -1.5251 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8162 -0.3453 -2.3221 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8962 1.2132 -2.1002 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