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
-2.0269 0.7280 -0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9783 -0.6725 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8459 -0.8706 0.5592 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5046 -0.1627 1.6738 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6258 0.4642 1.8071 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7106 0.5482 0.8631 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8682 1.2744 1.1742 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9403 1.4025 0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9041 0.7902 -0.8965 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8039 0.0697 -1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7192 -0.0444 -0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2724 -0.8960 0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 -1.6752 -1.3642 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2757 0.8463 -1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7690 1.4812 -0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0490 0.9586 -1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2431 -0.1237 2.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7559 0.9970 2.7767 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9001 1.7568 2.1406 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8316 1.9703 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7590 0.8837 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7631 -0.4103 -2.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8921 -0.6226 -0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5712 0.0145 1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2084 -1.7752 1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1057 -1.1131 -0.1733 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8459 -2.6843 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8360 -1.6026 -2.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0004 -1.5324 -1.9350 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