Monomers

1-(4-Vinylphenyl)-1-propanol

Identifiers

IUPAC name
1-(4-ethenylphenyl)propan-1-ol
InchI
InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h3,5-8,11-12H,1,4H2,2H3
InchI Key
FNYDFLXPKVRBLU-UHFFFAOYSA-N
SMILES
CCC(c1ccc(cc1)C=C)O
Canonical SMILES
CCC(C1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCC(C1=CC=C(C=C1)C=C)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
20.23
MolLogP
2.773
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

 26 26  0  0  0  0  0  0  0  0999 V2000
   -4.0774    0.3839   -0.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6085    0.3865    0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7455   -0.1378   -0.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3319   -0.0862   -0.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4097    1.0514   -0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7370    1.0662    0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447   -0.0898    0.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5558   -1.2474    0.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538   -1.2460    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7203   -0.1569    0.9839 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4941    0.8869    1.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9064    0.5838   -2.0702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2675    0.7080   -1.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6239    1.0374    0.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4315   -0.6772   -0.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2632    1.4224    0.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4370   -0.2724    1.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0273   -1.1839   -1.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0311    1.9778   -0.7123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836    1.9990    0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0460   -2.1633    0.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3126   -2.1628   -0.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1142   -1.1385    1.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5101    0.7962    1.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1416    1.8516    0.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5471    0.0042   -2.7986 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  2  3
  3 12  1  0
  9  4  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  5 19  1  0
  6 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  0
 11 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers