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
   -3.4383   -0.0231    1.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4611    0.3670    0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2112   -0.8426   -0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2467   -0.5596   -1.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0775   -0.1179   -0.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3214    1.2230   -0.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5605    1.5874   -0.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5454    0.6434    0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3096   -0.7071   -0.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0536   -1.0522   -0.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8220    1.0993    0.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448    0.3236    0.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4108   -1.2543   -0.8174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0439   -0.8484    1.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1238    0.8190    1.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8846   -0.3730    2.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8673    1.2215    0.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061    0.6316    1.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8549   -1.6621    0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1058   -1.5250   -1.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6999    0.1466   -2.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4597    1.9753   -0.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7295    2.6485   -0.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0556   -1.4760    0.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8767   -2.1217   -0.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9919    2.1758    0.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7902    0.7046    1.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7946   -0.7422    0.7377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4592   -2.2613   -0.8473 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