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
    3.9160   -0.3009    0.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9343   -0.3506   -0.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5144   -0.6185   -0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6866    0.5873   -0.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7429    0.3699   -0.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2001    0.7857    1.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5390    0.5846    1.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4088   -0.0292    0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9647   -0.4495   -0.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6366   -0.2402   -1.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9208   -0.1035    0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7982   -0.4460    1.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1132   -0.1990   -1.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1437   -1.5080   -0.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3899   -0.7502    0.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7766    0.6500   -1.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0390    1.4994   -0.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5318    1.2707    1.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8794    0.9139    2.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4501   -0.1772    0.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6447   -0.9333   -1.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2345   -0.5553   -2.0185 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