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
    4.6057    0.1501   -1.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9084    0.1431    0.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5178   -0.0259    0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7707   -0.1912   -0.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4026   -0.3537   -0.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2508   -0.3545    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4906   -0.1894    1.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8604   -0.0287    1.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7365   -0.5347    0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    0.8444    0.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8223    0.7546    0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4552   -0.4075    0.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7672   -0.9018   -1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6219    0.5884   -0.9024 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0676    0.7304   -1.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2512   -0.1943   -1.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1726   -0.4830   -1.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0048   -0.1872    2.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424    0.1011    2.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0832   -1.1001   -0.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9968   -1.0552    1.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0419    1.4402    1.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593    1.3832   -0.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4243    1.6674    0.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5365   -0.4910    0.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8573   -1.3045    0.5015 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