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
   -4.3458   -1.0348   -0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2800   -0.9111   -1.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1146   -0.2789   -0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9914    0.2247    0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8169    0.8502    1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2445    0.9902    0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1023    0.4767   -1.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580   -0.1553   -1.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5085    1.6450    0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5479    0.7252    1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8317   -0.3229    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0317   -0.5113   -0.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8037   -0.0568    0.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0865   -1.7266   -0.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0059   -1.4831    0.8706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8264    0.1177    1.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6941    1.2554    1.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9112    0.5542   -1.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1895   -0.5659   -2.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2864    2.4322    1.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8986    2.1479   -0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3160    0.3387    2.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4910    1.3258    1.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9917   -0.9443   -0.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2018   -1.2750   -1.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.1150   -0.1872 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