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
   -3.5439   -0.1512    0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9573    0.1712   -0.7499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4947    0.1952   -0.9173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8205   -0.1881    0.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6633   -0.1395    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040    1.0628    0.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6622    1.2105    0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3470    0.0918   -0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7247   -1.1157   -0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3645   -1.2293   -0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6176   -0.1614    0.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9139   -0.4063    1.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5893    0.4296   -1.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -0.4962   -1.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1788    1.2108   -1.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1226   -1.2031    0.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1095    0.5394    1.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7449    1.9346    0.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1581    2.1543    0.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4273    0.2126   -0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2705   -1.9711   -0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8316   -2.1507   -0.5085 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