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
    3.6306   -0.4506    2.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7530   -1.3878    2.3833 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6800   -0.9725    1.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8233   -1.8751    1.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2641   -1.4342    0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4981   -0.0893    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586    0.8199    0.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4394    0.3670    1.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6293    0.4476   -0.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2723    0.6441   -2.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4789    1.1828   -2.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0596    0.5391   -3.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2779   -0.9232    3.7495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2113    0.1289    2.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0215    0.3105    3.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0218   -2.9334    1.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9211   -2.1423   -0.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2068    1.8811    0.5795 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038    1.0874    1.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5128   -0.2354   -0.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9869    1.4262   -0.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3878    1.3135   -2.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0348   -0.3346   -2.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9350    2.1339   -2.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9232    0.8970   -4.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6243   -0.4005   -4.1363 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