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
   -4.0510    0.3755   -0.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5540    0.5186   -0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8267   -0.4604    0.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3619   -0.2262    0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2395   -0.6779   -0.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -0.4660   -1.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3475    0.1886   -0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7105    0.6375    0.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3693    0.4335    1.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7726    0.4370   -0.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960    0.0276   -1.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0720   -1.7778    0.0425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3610   -0.7085   -0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5465    0.7924   -1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4119    0.9076    0.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2036    0.3895   -1.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2844    1.5393   -0.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0734   -0.2448    1.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3134   -1.2007   -1.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0164   -0.8448   -2.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069    1.1575    1.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1409    0.7830    2.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3134    0.9701    0.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9116   -0.4885   -2.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4783    0.2478   -1.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2715   -2.3100    0.2980 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