Monomers

1-(4-Ethenylphenyl)butan-2-ol

Identifiers

IUPAC name
1-(4-ethenylphenyl)butan-2-ol
InchI
InChI=1S/C12H16O/c1-3-10-5-7-11(8-6-10)9-12(13)4-2/h3,5-8,12-13H,1,4,9H2,2H3
InchI Key
CHDUJEXBCJDVMA-UHFFFAOYSA-N
SMILES
CCC(Cc1ccc(cc1)C=C)O
Canonical SMILES
CCC(CC1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCC(CC1=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
2.643
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
   -2.7670   -1.8031   -0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5131   -0.8153    0.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5341    0.5990    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5162    0.9357   -1.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1203    0.7242   -0.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5852    1.7308    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8950    1.5121    0.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5401    0.2965    0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193   -0.6941   -0.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4965   -0.4869   -0.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9137    0.1297    0.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6065   -0.9728    0.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4904    1.4989    1.1066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8178   -1.3462   -1.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9459   -2.5727   -0.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7321   -2.3615   -0.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3279   -0.9351    1.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5740   -1.0795    1.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5395    0.7546   -0.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7384    0.3948   -1.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    2.0204   -1.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1683    2.7064    0.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4696    2.2882    0.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859   -1.6467   -0.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0072   -1.3231   -1.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4073    0.9602    1.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1924   -1.8473    0.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6360   -1.0766    0.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103    2.4094    0.8034 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
  3 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
  4 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