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
    4.7206   -0.1174    0.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6197   -0.0443    1.6110 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3466   -0.1859    1.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1163   -0.3996   -0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8145   -0.5459   -0.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2398   -0.4693    0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0211   -0.2569    1.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2780   -0.1160    1.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6106   -0.6280   -0.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2170    0.6821   -0.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5802    0.4403   -1.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6577    0.9915   -0.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329   -1.1826    0.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6566    0.2345    1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5546    0.4813   -0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9047   -0.4685   -0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6564   -0.7138   -1.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8754   -0.2029    2.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4183    0.0545    3.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6287   -1.3668   -1.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2377   -1.0301    0.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6447    1.2082   -1.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3051    1.3432    0.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7281   -0.1996   -2.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5192    1.6412    0.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6539    0.8509   -1.1202 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