Monomers
5-Phenyl-1-pentene
Identifiers
IUPAC name
pent-4-enylbenzene
InchI
InChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h2,4,6-7,9-10H,1,3,5,8H2
InchI Key
RURREWSZSUQSNB-UHFFFAOYSA-N
SMILES
C=CCCCc1ccccc1
Canonical SMILES
C=CCCCC1=CC=CC=C1
Isomeric SMILES
C=CCCCC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H14
Heavy Atom Count
11
Molecular Weight
146.233
Exact Molecular Weight
146.1096
Valence Electrons
58
Radical Electrons
0
tPSA
0.0
MolLogP
3.1953
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
25 25 0 0 0 0 0 0 0 0999 V2000
3.7788 0.4996 0.7225 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5098 0.4869 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6593 -0.6712 0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0740 -1.3397 -0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1735 -0.5220 -1.4356 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0259 -0.0239 -0.7485 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2150 -0.7638 -0.6999 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3372 -0.2856 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3259 0.9460 0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1705 1.6858 0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0460 1.1932 -0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2191 -0.3471 1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4475 1.3351 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1193 1.3422 -0.1875 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9099 -0.3615 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2657 -1.4661 1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9362 -1.7357 -1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5376 -2.2481 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1961 -1.2111 -2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7118 0.2857 -1.9963 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1870 -1.7225 -1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2419 -0.8594 -0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2266 1.2997 1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1792 2.6513 1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1911 1.8321 -0.1068 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
1 12 1 0
1 13 1 0
2 14 1 0
3 15 1 0
3 16 1 0
4 17 1 0
4 18 1 0
5 19 1 0
5 20 1 0
7 21 1 0
8 22 1 0
9 23 1 0
10 24 1 0
11 25 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers