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
    3.9080   -0.3965   -0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9743    0.5082    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015    0.3101   -0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6645    0.2702    0.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7528    0.0741    0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3130   -1.1914    0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6214   -1.3933   -0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4274   -0.3074   -0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9070    0.9669   -0.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5908    1.1457   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7066   -1.2910   -0.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9017   -0.2335    0.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2121    1.3895    0.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3011    1.1202   -1.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5401   -0.6366   -1.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7747    1.2167    1.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9433   -0.6225    1.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6917   -2.0517    0.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0559   -2.3894   -0.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4702   -0.4554   -0.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5235    1.8177   -0.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1741    2.1494    0.0707 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