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
   -4.6312   -0.6322    0.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9160    0.4188   -0.2726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5535    0.3034   -0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8894   -0.8285   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5177   -0.9508   -0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1969    0.0757   -0.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4579    1.2056   -1.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8249    1.3386   -1.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6523   -0.0174   -0.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004    0.5317    0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8390    0.3890   -0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6023   -0.3412    0.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3861   -1.6133   -0.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4184   -0.6119    1.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7350   -0.5158    0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4261   -1.6539    0.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0231   -1.8534    0.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1089    2.0153   -1.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3670    2.2164   -1.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0086    0.5144   -1.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0122   -1.0722   -1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1157   -0.1044    1.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1048    1.5948    0.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2451    0.8870   -0.9034 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6545   -0.4369    0.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -0.8589    1.6020 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