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
   -3.9271   -1.8151   -0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5076   -0.6750   -0.7618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2832   -0.1170   -0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8395    0.9980   -1.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6076    1.5680   -0.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1919    1.0222    0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2702   -0.0878    0.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4970   -0.6672    0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5118    1.6143    0.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232    1.0148   -0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7022   -0.4491   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8002   -1.0192    0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9716   -2.1052   -0.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9145   -1.5734    1.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2800   -2.7040   -0.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4639    1.4316   -1.9194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3300    2.4386   -1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3424   -0.5231    1.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8666   -1.5403    1.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4739    2.7022    0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7463    1.3534    1.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4647    1.2138   -1.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642    1.5119   -0.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -1.0425   -0.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8123   -2.0904    0.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6964   -0.4594    0.5938 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