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
    4.3623   -1.4489   -0.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1544   -1.7470    0.3190 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584   -0.8947    0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9283   -1.3005    1.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041   -0.4963    1.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2402    0.7323    0.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9063    1.1153   -0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300    0.3157   -0.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4495    1.5974    0.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3888    1.3113   -0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8635   -0.0929   -0.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1524   -0.3657   -0.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3345   -1.7030   -1.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6788   -0.3933   -0.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1568   -2.0761    0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9227   -2.2619    1.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0974   -0.8083    1.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8643    2.0906   -0.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9070    0.6454   -0.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828    1.3797    1.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1661    2.6640    0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2662    1.9748   -0.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9428    1.5972   -1.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1594   -0.9259   -0.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5406   -1.3646   -0.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8496    0.4554   -0.5102 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