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
-2.4784 -0.7809 1.9389 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5275 0.1601 0.7681 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3426 0.8755 0.5725 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1105 0.3215 0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8239 0.9699 -0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1361 0.4067 -0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0617 1.1708 -1.2971 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3034 0.6614 -1.5694 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7045 -0.5994 -1.1859 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7782 -1.3446 -0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5003 -0.8450 -0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9245 -0.6478 -0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6470 1.1679 0.9999 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3671 -0.6271 2.6187 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5849 -0.6768 2.5588 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5699 -1.8569 1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0709 -0.6703 0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5968 1.9945 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7732 2.1803 -1.6171 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0511 1.2456 -2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6958 -0.9569 -1.4244 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0565 -2.3460 -0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8184 -1.5002 0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6977 -0.0378 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0090 -0.9016 -0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3930 -1.6399 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4807 0.6944 1.5844 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2543 1.9837 1.6695 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9837 1.5990 0.0537 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