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
    4.4417    0.3022    0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3696    1.2239    0.2528 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1299    0.6809   -0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9079   -0.6701   -0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6741   -1.1864   -0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3848   -0.3168   -0.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1913    1.0411   -0.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655    1.5430   -0.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7510   -0.7898   -1.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120   -1.0720    0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6105    0.1568    1.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7856    0.6739    1.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6050   -0.2710   -0.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3826    0.8130    0.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1112   -0.4435    1.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7498   -1.3299   -0.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5364   -2.2519   -0.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0105    1.7487   -0.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799    2.6151   -0.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3287    0.0284   -1.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7610   -1.6533   -1.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9785   -1.8421    0.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5233   -1.4508    0.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7194    0.6580    1.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7293    0.2212    1.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8677    1.5713    2.0073 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