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
    3.1853    0.5329   -0.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0355   -0.0175   -0.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7881   -0.5712    0.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6289    0.1691    1.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6202    0.0427    0.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5267   -0.9705    0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6766   -1.0553    0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9723   -0.1372   -0.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0715    0.8836   -1.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9235    0.9542   -0.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3179    0.9200   -1.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0180    0.6127   -0.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2263   -0.0827   -1.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6320   -1.6585    0.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6776   -0.3595    1.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060    1.2533    1.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4322   -0.1585    2.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2723   -1.6871    1.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3752   -1.8588    0.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8872   -0.2062   -1.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2889    1.6179   -1.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2335    1.7768   -0.5346 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