Monomers

4-Phenyl-1-butene

Identifiers

IUPAC name
but-3-enylbenzene
InchI
InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2
InchI Key
PBGVMIDTGGTBFS-UHFFFAOYSA-N
SMILES
C=CCCc1ccccc1
Canonical SMILES
C=CCCC1=CC=CC=C1
Isomeric SMILES
C=CCCC1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H12
Heavy Atom Count
10
Molecular Weight
132.206
Exact Molecular Weight
132.0939
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
2.8052
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

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.7928    0.0693   -0.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9904    0.1692    0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5580    0.4441    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6839   -0.6611    0.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7467   -0.3244    0.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3951   -0.7340   -0.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7192   -0.4290   -1.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3690    0.2937   -0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7296    0.6998    1.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4020    0.3947    1.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8381   -0.1315   -0.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    0.1885   -1.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3803    0.0491    1.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2678    0.5641   -1.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862    1.4087    0.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8965   -1.6056    0.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8982   -0.8374    1.6585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8684   -1.3005   -1.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2336   -0.7443   -1.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4284    0.5314   -0.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2449    1.2588    1.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8622    0.6963    2.2325 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  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  6 18  1  0
  7 19  1  0
  8 20  1  0
  9 21  1  0
 10 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers