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
-1.5810 1.2217 -1.4986 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8854 0.1737 -0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9575 0.2918 0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0040 -0.9831 -0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3834 -0.6306 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2789 -0.4031 -0.9994 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6041 -0.0664 -0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0213 0.0397 0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1488 -0.1820 1.5962 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8328 -0.5163 1.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0221 0.8275 -2.3589 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0675 2.1053 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5636 1.5845 -1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2135 -0.4460 0.9836 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5973 1.1504 0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9524 -1.6026 -1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3601 -1.7030 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9704 -0.4816 -2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2592 0.1000 -1.6154 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0642 0.3047 0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5139 -0.0892 2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1275 -0.6955 2.1347 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