Monomers

1-(4-Vinylphenyl)-1-butanol

Identifiers

IUPAC name
1-(4-ethenylphenyl)butan-1-ol
InchI
InChI=1S/C12H16O/c1-3-5-12(13)11-8-6-10(4-2)7-9-11/h4,6-9,12-13H,2-3,5H2,1H3
InchI Key
LAKSAUHDKCJSLP-UHFFFAOYSA-N
SMILES
CCCC(c1ccc(cc1)C=C)O
Canonical SMILES
CCCC(C1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCCC(C1=CC=C(C=C1)C=C)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H16O
Heavy Atom Count
13
Molecular Weight
176.259
Exact Molecular Weight
176.1201
Valence Electrons
70
Radical Electrons
0
tPSA
20.23
MolLogP
3.1631
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 29 29  0  0  0  0  0  0  0  0999 V2000
    4.5078   -0.9830    0.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5457   -0.1266   -0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0936   -0.4399   -0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2373    0.4646   -0.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2098    0.2743   -0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309   -0.3935   -1.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3790   -0.5480   -1.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9808   -0.0462   -0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1601    0.6192    0.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7938    0.7757    0.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4084   -0.2305    0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0181    0.2228    1.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6344    1.7915   -0.6202 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4723   -0.9849   -0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6599   -0.5683    1.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1195   -2.0187    0.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6635   -0.2591   -1.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6766    0.9572   -0.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9725   -0.1783    0.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9019   -1.5043   -0.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5218    0.3047   -1.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5579   -0.7868   -2.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0095   -1.0685   -1.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5527    1.0378    1.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1579    1.3039    1.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9826   -0.7627   -0.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5297    0.7607    1.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0718    0.0556    1.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8361    2.3313   -0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  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
  8 11  1  0
 11 12  2  3
  4 13  1  0
 10  5  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  6 22  1  0
  7 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
 13 29  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers