Monomers

2-(Trimethylsiloxy)-1,3-butadiene

Identifiers

IUPAC name
buta-1,3-dien-2-yloxy(trimethyl)silane
InchI
InChI=1S/C7H14OSi/c1-6-7(2)8-9(3,4)5/h6H,1-2H2,3-5H3
InchI Key
JOAPBVRQZQYKMS-UHFFFAOYSA-N
SMILES
C=CC(=C)O[Si](C)(C)C
Canonical SMILES
C[Si](C)(C)OC(=C)C=C
Isomeric SMILES
C[Si](C)(C)OC(=C)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H14OSi
Heavy Atom Count
9
Molecular Weight
142.274
Exact Molecular Weight
142.0814
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5376
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
    1.7152    2.2065    2.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5964    0.9644    1.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4781   -0.0961    0.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3393   -0.6350   -0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4040   -1.1531    0.9051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9164   -0.6393   -0.2155 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.1467   -0.5713   -1.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3404   -1.8618   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5151    1.0171    0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310    2.8188    2.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    2.7017    1.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7905    0.6562    2.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1235   -1.5283   -0.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504    0.0361   -0.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359   -1.5893   -2.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8061   -0.2144   -2.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    0.0484   -1.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1778   -1.3301    0.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0183   -2.7105    0.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5592   -2.1948   -1.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4431    1.8253   -0.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6416    0.9507    0.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233    1.2989    1.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  4 14  1  0
  7 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers