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
   -4.8713   -0.1564   -0.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8593   -0.5243    0.2694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5388   -0.1884    0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6725   -0.6456    1.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3391   -0.3351    1.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079    0.4381    0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6565    0.8960   -0.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0008    0.5871   -0.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414    0.7047    0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4895   -0.3055   -0.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9034    0.1120   -0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8146   -0.6455    0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8357   -0.1112   -0.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6567    0.8136   -1.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9433   -0.9711   -1.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0649   -1.2552    1.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2789   -0.7385    1.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2529    1.5097   -1.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6783    0.9453   -1.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9666    0.7451    1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8220    1.7113   -0.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2752   -0.3863   -1.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3508   -1.2860   -0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1897    1.0734   -0.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532   -0.3550    0.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768   -1.6323    0.5750 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