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
    2.4925    0.9652    0.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5718    0.1053   -0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899   -1.0605   -0.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701   -1.4253    0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5676   -0.4976    0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4119   -0.4686   -1.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5174    0.3431   -1.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8483    1.1806   -0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0432    1.1804    0.9895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9228    0.3438    1.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243    1.8033    0.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7988    0.9742    1.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4196    0.3015   -1.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5022   -1.9539   -0.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5951   -1.0144   -1.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8102   -1.6442    1.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1723   -2.3965   -0.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1666   -1.1298   -1.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1637    0.3520   -2.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7066    1.8372   -0.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2551    1.8267    1.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3433    0.3775    1.9594 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