Monomers
2-Methyl-3-phenyl-1-propene
Identifiers
IUPAC name
2-methylprop-2-enylbenzene
InchI
InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InchI Key
MXTNFIYGTWARIN-UHFFFAOYSA-N
SMILES
CC(=C)Cc1ccccc1
Canonical SMILES
CC(=C)CC1=CC=CC=C1
Isomeric SMILES
CC(=C)CC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H12
Heavy Atom Count
10
Molecular Weight
132.206
Exact Molecular Weight
132.0939
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
2.8052
H Bond Acceptors
0
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
22 22 0 0 0 0 0 0 0 0999 V2000
-2.0002 0.0769 1.4165 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9185 0.1242 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7808 0.8858 -0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9042 -0.6579 -0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4852 -0.3453 -0.4339 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2376 0.6195 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.8302 -0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1376 0.1264 0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3771 -0.8397 0.9723 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0831 -1.0616 0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9106 -0.5262 1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2647 1.1264 1.7429 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1035 -0.2869 1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5239 1.4576 -0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7884 0.9759 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0601 -1.7584 -0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9952 -0.5260 -1.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7616 1.1706 -1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1328 1.5875 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1450 0.2697 0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8124 -1.4098 1.7651 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5409 -1.8389 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 5 1 0
1 11 1 0
1 12 1 0
1 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
6 18 1 0
7 19 1 0
8 20 1 0
9 21 1 0
10 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers