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
Resources
cid=

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
    4.4634   -0.4209   -0.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5262    0.1250    0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3158    0.7814   -0.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0450    0.1016    0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1343    0.8104   -0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4184    0.2329   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1019    0.6574    1.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3216    0.0948    1.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8886   -0.9159    0.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1899   -1.3263   -0.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9797   -0.7723   -0.7770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3311   -0.8915   -0.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3731   -0.4051   -1.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6642    0.0819    1.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3853    0.8339   -1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3528    1.8480    0.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0665   -0.9248   -0.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0653    0.1183    1.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0600    0.7759   -1.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0701    1.8834   -0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6502    1.4466    1.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8254    0.4608    2.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8388   -1.3485    0.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6450   -2.1183   -0.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4646   -1.1288   -1.6674 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