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
   -3.9921    0.7332    0.9486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6493    0.3722   -0.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2943   -0.2854   -0.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2237    0.6290   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1449    0.1040   -0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4960   -1.0479   -0.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8134   -1.4357   -0.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8360   -0.7360   -0.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4645    0.4086    0.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1406    0.8368    0.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2147   -1.2010   -0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1976   -0.5700    0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4850    1.0195    1.1736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5232   -0.0073    1.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0803    0.6656    1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6940    1.7670    1.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4675   -0.2773   -0.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7118    1.3081   -1.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3488   -1.2546   -0.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1836   -0.5126   -1.7017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2666    1.5546   -0.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3043   -1.5828   -1.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0600   -2.3383   -1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2160    0.9986    0.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9425    1.7405    0.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4038   -2.1184   -0.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1247    0.3391    0.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2093   -0.9887    0.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0396    1.8791    1.4043 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