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
   -2.4494   -0.2652   -1.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6105    0.2726   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6996    1.2053    0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3480    1.4207    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6563    0.3857    0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0337   -0.3332   -0.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9979   -1.3519   -0.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5990   -1.6557    0.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2387   -0.9477    1.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2987    0.0371    1.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6059   -0.0588   -1.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1964   -0.9777   -1.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5537   -0.0538    0.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2195    2.2373    0.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7697    1.0272    1.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.3622    0.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276    1.7558   -1.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348   -0.1569   -2.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3021   -1.9272   -1.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3519   -2.4405    0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6755   -1.1388    2.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0033    0.6036    2.1487 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