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
4.0373 0.6807 0.7832 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0078 0.5903 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4946 -0.7327 -0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0608 -0.8762 -0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2339 0.1810 -0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1950 0.1126 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1364 -0.5986 -1.0839 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4656 -0.6218 -0.7026 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8884 0.0650 0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9698 0.7808 1.1315 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6392 0.7965 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4574 -0.2485 1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3839 1.6652 1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5404 1.4786 -0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4899 -0.7193 -1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1362 -1.5519 -0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0607 -0.7680 1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7311 -1.9072 -0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3277 0.0708 -1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5879 1.1742 -0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8514 -1.1487 -1.9526 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2158 -1.1836 -1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9450 0.0512 0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2754 1.3310 2.0067 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9676 1.3787 1.3550 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