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
   -4.8147   -0.2454    0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7516    0.6583    0.5907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4311    0.3105    0.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0332   -0.9712    0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7040   -1.2747    0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2733   -0.3372    0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1495    0.9420    0.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4815    1.2630    0.8151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7178   -0.6796    0.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3023   -0.4739   -0.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7373   -0.8247   -0.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6944    0.0403   -1.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7395    0.2883    0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0751   -0.7483    1.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5433   -0.9596   -0.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7361   -1.7685    0.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069   -2.2946   -0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6185    1.6993    0.9927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7502    2.2827    1.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2203   -0.0103    1.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9048   -1.7115    0.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7331   -1.0397   -1.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2279    0.6008   -1.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0339   -1.8295   -0.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4094    1.0496   -1.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7436   -0.2189   -1.2253 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