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
   -3.0221   -1.6322   -0.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9067   -0.4978    0.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9469    0.5727    0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5381    0.1915    0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4082    1.1157   -0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7543    0.8028   -0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1574   -0.4828   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159   -1.4562    0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1193   -1.0815    0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5496   -0.8459   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4825    0.0060   -0.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1106    1.6540    1.1346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2569   -1.6741   -1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9821   -2.5861    0.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0175   -1.5689   -0.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9377   -0.0648    0.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6517   -0.8608    1.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3032    1.0071   -0.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0868    2.1169   -0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    1.5769   -0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -2.4553    0.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7925   -1.8569    0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8565   -1.8713   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3521    1.0487   -0.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5440   -0.3119   -0.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8466    2.5119    0.7134 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