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
    4.6980    0.3430    0.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7816   -0.6838    0.6225 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4701   -0.4710    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5982   -1.5229   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3030   -1.3324   -0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1736   -0.0684   -0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6785    0.9948   -0.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9688    0.7853   -0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5705    0.1072   -1.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4276    0.2775    0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8541    0.4629   -0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7763   -0.3706    0.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4550   -0.0386    1.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2822    1.2674    1.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2039    0.5382   -0.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9640   -2.5239    0.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3274   -2.2239   -0.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3371    2.0202   -0.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6610    1.6274    0.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8587   -0.7830   -1.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5815    1.0283   -1.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2329   -0.5250    0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0634    1.2217    0.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1370    1.3129   -0.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5692   -1.2331    0.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8293   -0.2101   -0.0640 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