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
   -0.8354    2.4460   -1.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7633    1.8324   -0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0792    0.4309   -0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2093   -0.6451   -0.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1321   -0.7789   -0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2455   -0.3564   -0.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5029   -0.4828   -0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6614   -1.0379    1.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5181   -1.4696    1.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2803   -1.3447    1.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7782    3.5327   -0.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1136    1.9440   -1.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4615    2.5210    0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0999    0.2381   -0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3080    0.2449    0.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2052   -0.6717   -1.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7338   -1.6284   -0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1790    0.0793   -1.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3699   -0.1218   -0.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503   -1.1330    1.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6650   -1.9093    2.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6173   -1.6896    1.6991 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