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
   -3.2896    0.4237   -0.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4233   -0.6078   -1.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0337   -1.7253   -0.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2357   -1.2867    0.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0410   -0.6358    0.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7306   -0.7612   -0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9195   -0.1181   -0.9822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4892    0.7101   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7837    0.8232    1.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5888    0.1750    1.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7489    1.3871   -0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2974    2.1576    0.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9971   -0.3504    1.4603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9172    0.9263   -1.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9003   -0.0863    0.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6492    1.1883   -0.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5863   -0.0532   -1.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0642   -1.0194   -2.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -2.5334   -1.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9874   -2.1488   -0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0504   -2.1417    1.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3239   -1.3970   -1.5188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685   -0.2109   -1.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1679    1.4481    1.9812 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0578    0.2939    2.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2234    1.2358   -1.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8866    2.3546    1.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2526    2.6530    0.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2902   -0.7006    2.3287 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