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
    2.3149    0.6805    1.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2181    0.2813   -0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7514   -1.0822   -0.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4840   -1.0565   -1.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5554   -0.3385   -0.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7414    1.0280   -0.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7198    1.6558    0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5528    0.9600    0.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3686   -0.4046    1.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3932   -1.0283    0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0525    0.0107    1.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.6761    1.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4777    0.9428   -1.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5705   -1.6203    0.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515   -1.6790   -1.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682   -0.6283   -2.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1547   -2.1192   -1.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0811    1.5905   -1.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8676    2.7268    0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3158    1.4641    1.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0282   -0.9468    1.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2735   -2.1129    0.3519 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