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
   -4.1876    1.4045   -0.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5210    0.0292   -0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0469    0.2522   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2478   -1.0204   -0.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726   -0.6786    0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6591   -0.4374    1.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9932   -0.1208    1.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8408   -0.0446    0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3391   -0.2885   -0.9278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9912   -0.6064   -1.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2276    0.2928    0.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0688    0.3808   -0.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6734   -1.9606    0.8134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1170    1.9306   -1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5988    2.0290    0.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2122    1.3517    0.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9731   -0.5699    0.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7789   -0.3588   -1.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8923    0.7338    0.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7017    0.9145   -0.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4064   -1.4677   -1.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0461   -0.4842    2.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353    0.0809    2.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9598   -0.2375   -1.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5986   -0.7992   -2.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6026    0.4814    1.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    0.2225   -1.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1335    0.6409   -0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5579   -1.6701    1.7343 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