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
    3.4851    0.4029    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9148   -0.4944   -0.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4427   -0.6535   -0.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8588    0.3036    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6300    0.1717    0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3713    0.9616   -0.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7417    0.8501   -0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3881   -0.0079    0.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6232   -0.7858    1.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2426   -0.7017    1.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9711    1.0581    0.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5628    0.5073   -0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5466   -1.1066   -1.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2581   -1.7209   -0.4106 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144   -0.5327   -1.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2809    0.1272    1.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1128    1.3407   -0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9232    1.6514   -1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3252    1.4804   -1.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4686   -0.0600    0.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0764   -1.4776    1.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6579   -1.3140    1.8340 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