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
   -4.5058   -0.8698   -0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5429    0.2375    0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1050   -0.2897    0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2312    0.9256    0.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2080    0.5331    0.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8449    0.3938    1.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1716    0.0313    1.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9183   -0.2068    0.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740   -0.0651   -0.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9203    0.3047   -0.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3101   -0.5856    0.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0228   -0.8111   -0.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4427    1.9131   -0.5506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9161   -0.7026   -1.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3453   -0.8423    0.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9678   -1.8258   -0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7791    0.7065    1.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5664    1.0522   -0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8439   -0.6979   -0.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545   -1.0490    0.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5376    1.3629    1.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3129    0.5659    2.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7247   -0.0935    2.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7481   -0.2225   -1.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211    0.4143   -1.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7682   -0.6824    1.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6214   -0.7297   -1.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607   -1.0925   -0.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5888    2.3253   -0.8587 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