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
4.2782 1.3595 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4632 0.3772 0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4521 -0.1850 -0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0594 0.0058 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0103 -0.5702 -1.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3427 -0.3889 -0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1197 0.7404 -0.7627 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3786 0.8682 -0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9085 -0.1198 0.5935 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1239 -1.2470 0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8638 -1.3855 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9996 1.7456 0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2455 1.7936 -1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4920 -0.0619 1.2082 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -1.2510 -0.9221 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4775 0.4179 -1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8803 1.1031 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9645 -0.4581 0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0356 -0.0479 -2.0535 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2049 -1.6535 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7224 1.5257 -1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9961 1.7562 -0.4007 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9057 -0.0145 1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5582 -2.0205 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3125 -2.2897 0.5153 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