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
    4.6375    0.5820    0.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6775    0.2848    1.4024 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3377    0.2681    1.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3671   -0.0239    2.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0342   -0.0378    1.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276    0.2369    0.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6094    0.5271   -0.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9385    0.5370   -0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7782    0.2194   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1480   -1.1601   -0.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5925   -1.1602   -0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3518   -0.0899   -0.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6270    0.7875    0.9208 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4010    1.5258   -0.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7441   -0.2095   -0.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6380   -0.2423    3.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7339   -0.2618    2.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3630    0.7475   -1.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7037    0.7631   -0.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4028    0.4958    0.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9415    0.9483   -0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9440   -1.8551    0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4998   -1.4919   -1.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0406   -2.0924   -1.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9368    0.8378   -0.4672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3813   -0.1358   -1.0914 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