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
   -3.4350   -1.7942    0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -0.7968    0.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3749    0.4236   -0.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3516    1.4335    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0372    0.9382    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5629    0.3763    1.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8549   -0.0888    1.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6563   -0.0204   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1318    0.5412   -1.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8225    1.0097   -1.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0170   -0.5392    0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8539   -0.5251   -0.9698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6346    1.0173   -0.1485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6987   -2.4687    1.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0755   -2.4704   -0.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3585   -1.2373   -0.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3937   -1.2961    0.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5054   -0.5849    1.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586    0.1432   -1.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4358    2.2778   -0.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5418    1.9028    1.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0289    0.2979    2.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2692   -0.5307    2.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7120    0.6229   -2.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4352    1.4447   -2.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3575   -0.9709    0.9886 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8594   -0.9433   -0.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5461   -0.1099   -1.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6479    1.9478   -0.4607 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