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
    4.6422   -0.7930    0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8782    0.3764    0.0464 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345    0.2686   -0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -0.9518   -0.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5421   -1.0419   -0.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1834    0.0956   -0.8008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4485    1.3163   -0.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7994    1.4145   -0.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6351   -0.0030   -1.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4007   -0.0046    0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8528   -0.0992    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7108    0.8106    0.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4529   -1.4837   -0.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996   -1.3277    1.1624 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7128   -0.5112    0.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4919   -1.8536   -0.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0697   -2.0112   -0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1278    2.2304   -0.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3013    2.3672   -0.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8647   -0.9816   -1.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9162    0.7942   -1.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1157    0.8727    0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272   -0.8980    0.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2334   -0.9896   -0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7685    0.7115    0.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3493    1.6923    0.9318 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