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
    3.9051    1.6218   -0.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0656    1.3985    0.8174 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176    0.6213    0.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6137    0.0647   -0.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4778   -0.7089   -0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720   -0.9458    0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0430   -0.3800    1.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0849    0.3953    1.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5743   -1.7812    0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7920   -0.9808   -0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5780   -0.2663   -1.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6488    1.0527   -1.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4435    0.6864   -0.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2682    1.9967   -1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6815    2.3645   -0.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2643    0.2368   -1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2082   -1.1623   -1.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6927   -0.5527    2.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.8485    2.7235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3626   -2.4716   -0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7893   -2.4518    1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0806   -0.2282    0.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6343   -1.7064   -0.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3543   -0.8741   -2.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8711    1.6498   -0.6693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931    1.5732   -2.4764 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