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
    4.1189    1.2338    0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1270    1.0347   -0.9019 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9626    0.3719   -0.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7567   -0.1098    0.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6006   -0.7775    1.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4061   -0.9984    0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2081   -0.5183   -1.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9565    0.1495   -1.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6307   -1.7190    0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6807   -0.7244    1.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9967    0.2389   -0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7876    1.5372    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3647    0.2354    0.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7659    1.8695    0.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0572    1.6420   -0.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362    0.0545    1.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5014   -1.1297    2.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9916   -0.6872   -1.9215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1073    0.5231   -2.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4147   -2.4131    1.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0514   -2.3265   -0.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6263   -1.2469    1.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2457   -0.2393    1.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3972   -0.1581   -1.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0283    2.2034   -0.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3898    1.9541    0.9904 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