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
-2.4907 1.1250 0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6571 0.0414 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5160 -0.0520 -0.9628 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2461 -0.3474 -0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7717 0.3961 -0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1379 0.1266 -0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1889 0.9408 -0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4903 0.7437 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8074 -0.2904 0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7793 -1.1028 0.8687 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4559 -0.9010 0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9086 -1.3022 0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8097 0.4331 -1.0673 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4500 1.5256 0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1572 1.9896 0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7080 0.7422 1.9421 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1714 -1.1900 0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5891 1.2305 -1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9387 1.7438 -1.4805 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2973 1.4034 -0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8255 -0.4693 0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9998 -1.9275 1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6903 -1.5637 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2174 -1.4250 1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6472 -2.0860 -0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9409 -1.4254 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8089 -0.3083 -1.8796 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7528 0.5401 -0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4902 1.4091 -1.5304 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