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
    2.4594    1.2682    0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032    0.1836   -0.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8089   -1.0821   -0.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7030   -1.2856    0.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5153   -0.4678    0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4430   -0.8364   -0.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6182   -0.1541   -0.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9536    0.9418   -0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0648    1.3245    0.8726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8678    0.6222    1.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0812    2.1247   -0.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8469    1.3982    1.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2391    0.2334   -1.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5474   -1.4326   -1.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6071   -1.8552   -0.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4236   -2.3871    0.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1194   -1.0955    1.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1888   -1.6918   -1.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3344   -0.4374   -1.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8703    1.4989   -0.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2717    2.1760    1.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2112    0.9542    1.8782 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