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
   -4.2599    0.8421   -0.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5840    0.2565    0.1849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2516   -0.1227    0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4536    0.0482   -0.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1227   -0.3289   -0.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4893   -0.9022    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3306   -1.0773    1.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6466   -0.6983    1.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049   -1.3123    0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8230   -0.4124    0.8843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1069    0.9248    0.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7969    1.6078   -0.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3456    0.8904   -0.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9206    1.8991   -0.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1029    0.2827   -1.8288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8850    0.4944   -1.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4710   -0.1937   -1.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1412   -1.5338    2.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2719   -0.8355    2.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8894   -2.2887    0.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2187   -1.5878   -0.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8240   -0.9670    0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4474   -0.3446    1.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7351    1.5154    1.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120    1.1964   -1.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1152    2.6477   -0.7778 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