Monomers

4-(4-Methoxyphenyl)-1-butene

Identifiers

IUPAC name
1-but-3-enyl-4-methoxybenzene
InchI
InChI=1S/C11H14O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h3,6-9H,1,4-5H2,2H3
InchI Key
CLTMQCGFHLPTBB-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)CCC=C
Canonical SMILES
COC1=CC=C(C=C1)CCC=C
Isomeric SMILES
COC1=CC=C(C=C1)CCC=C
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
9.23
MolLogP
2.8138
H Bond Acceptors
1
H Bond Donors
0
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
    3.8552    0.8825    2.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7253    1.5461    1.6853 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7887    1.0240    0.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8779   -0.2561    0.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9253   -0.7571   -0.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1774    0.0147   -0.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2165    1.2757   -0.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7298    1.8042    0.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0773   -0.6137   -1.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0890   -1.5629   -1.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1830   -1.1868   -0.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5281   -0.0181   -0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2148    1.4558    3.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6900    0.8450    1.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6565   -0.1490    2.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7301   -0.8430    0.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0468   -1.7645   -0.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    1.9133   -0.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6014    2.8374    0.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4210   -1.1288   -2.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5574    0.2034   -2.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6282   -1.9043   -2.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6853   -2.5562   -1.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8598   -2.0210   -0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0161    0.8821   -0.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3739    0.0772    0.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
  8  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers