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
   -3.6301    1.5156   -0.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5474    0.4255   -0.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3818    0.0693    0.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3581   -0.9877    1.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0252   -0.6502    0.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5130    0.5806    0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8431    0.7351    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371   -0.3040   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2253   -1.5720    0.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052   -1.7403    0.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1421   -0.1510   -0.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6685    1.0185   -0.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7384   -2.2287    0.5691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3026    1.4428    0.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1405    2.5283   -0.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655    1.4396   -1.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6812    0.8496   -1.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125   -0.3952   -1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3607   -0.3500    1.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1783    0.9336    1.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3798   -1.1175    2.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1477    1.4328    0.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665    1.7409   -0.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9392   -2.3841    0.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -2.7461    0.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8087   -1.0052   -0.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0903    1.9281   -0.6662 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7034    1.1367   -0.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4222   -2.1449   -0.1324 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