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
-3.8782 0.9000 0.7358 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5821 0.3097 0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5615 0.4602 1.2704 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2729 -0.0148 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6739 0.6993 0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0070 0.1441 0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9910 0.9427 -0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2536 0.4772 -0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5888 -0.7982 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6554 -1.5994 0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3746 -1.1268 0.6948 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0632 0.9106 -0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7890 -1.1872 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0891 0.4850 1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6966 0.5214 0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8702 2.0105 0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0761 -1.0098 1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5151 1.7209 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7324 1.9610 -0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0146 1.1146 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6072 -1.1440 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9561 -2.6063 0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6670 -1.8005 1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2042 0.3243 -1.3413 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6802 1.9407 -0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8445 1.0293 -1.7676 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6891 -1.6259 1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9566 -1.5982 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7829 -1.4403 -0.2644 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