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
-2.1303 1.0226 0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8907 -0.1055 -0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7687 -1.0792 -0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6954 -0.1512 -1.2515 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5744 -0.1537 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2113 -1.2789 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4033 -1.1845 0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9522 0.0424 0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3169 1.1884 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1445 1.0726 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9311 0.8046 1.2631 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2178 1.2409 1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3854 1.9638 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6106 -1.9049 -1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6486 -1.0457 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6659 -1.0537 -1.8965 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6517 0.7162 -1.9489 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7685 -2.2409 -0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9112 -2.0761 1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8579 0.0951 1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7886 2.1284 0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6673 1.9993 -0.5020 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