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
    3.8621   -0.3125   -0.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8950   -0.8234    0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5259   -0.8349   -0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6536   -0.0342    0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7545    0.0273    0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1550    1.0507   -0.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4615    1.1116   -0.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3685    0.1669   -0.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9514   -0.8533    0.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6474   -0.9383    0.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8783   -0.2952    0.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6905    0.1059   -1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0847   -1.2269    1.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4916   -0.4117   -1.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1827   -1.8880   -0.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0380    1.0025    0.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001   -0.5072    1.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4362    1.8149   -0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8229    1.9031   -1.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4241    0.1964   -0.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6547   -1.6249    0.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3263   -1.7416    1.3900 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