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
    2.8521   -1.3897    2.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5918   -1.1388    1.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4881   -0.2256    0.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4505   -0.9289   -0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6427   -0.0193   -0.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586    0.0952    0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7939    0.9419   -0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7365    1.6868   -1.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6239    1.5701   -2.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5915    0.7382   -1.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6576   -2.0574    2.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414   -0.9136    3.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2247   -1.6337    0.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0507    0.1981    1.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9407    0.5805    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0113   -1.7282    0.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9024   -1.4574   -1.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8336   -0.4903    1.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6798    1.0330    0.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5297    2.3655   -1.5516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5232    2.1416   -2.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3022    0.6321   -2.3715 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