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
    4.3797    0.1130    0.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4024   -0.6758    0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334   -0.1320   -0.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9693   -0.2522   -0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0260    0.3489   -1.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3652    0.2276   -0.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1061   -0.9126   -0.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3408   -1.0185   -0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8415   -0.0092    0.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0712    1.1153    0.9334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8278    1.2531    0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1753   -0.2693    1.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4017    1.1605    0.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3899   -1.7097    0.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138    0.9347   -0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3316   -0.6973   -1.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798   -1.2814    0.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9817    0.3485    0.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1980    1.4120   -1.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0434   -0.2329   -2.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -1.7112   -1.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9253   -1.9331   -0.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8059   -0.1416    1.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4519    1.9050    1.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2265    2.1581    0.5247 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