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
-1.9979 1.2649 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9104 -0.0591 0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7936 -1.0241 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7877 -0.3229 1.1772 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5334 -0.1982 0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1158 -1.3084 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3381 -1.2147 -0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9831 0.0012 -0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4107 1.1080 -0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1718 1.0110 0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0004 1.6438 -0.6622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6343 1.1962 -1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4910 1.9643 0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6057 -0.8149 -0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7177 -1.9719 0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7873 0.3869 2.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8534 -1.3379 1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6019 -2.2554 -0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7652 -2.1121 -1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9477 0.0668 -1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9261 2.0672 -0.1844 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7857 1.9094 0.9187 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