Monomers

CID 85622357

Identifiers

IUPAC name
methyl 2-(propan-2-yloxymethyl)prop-2-enoate
InchI
InChI=1S/C8H14O3/c1-6(2)11-5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
AUSGESVXHJQSRC-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)COC(C)C
Canonical SMILES
CC(C)OCC(=C)C(=O)OC
Isomeric SMILES
CC(C)OCC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O3
Heavy Atom Count
11
Molecular Weight
158.197
Exact Molecular Weight
158.0943
Valence Electrons
64
Radical Electrons
0
tPSA
35.53
MolLogP
1.1406
H Bond Acceptors
3
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

 25 24  0  0  0  0  0  0  0  0999 V2000
    3.8422    1.6225    1.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723    1.0323    0.8781 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5117   -0.2954    0.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5014   -1.0564    0.7176 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2446   -0.7998    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1298   -2.0698   -0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0843    0.0974   -0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0298   -0.5873   -0.6039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1220    0.2440   -0.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2369   -0.2931    0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6157    0.1194   -2.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7040    1.9106    2.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7391    0.9981    1.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9582    2.6011    0.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9568   -2.7404   -0.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1939   -2.4462   -0.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2084    0.4359    0.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3185    1.0090   -0.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8848    1.3003   -0.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9281   -0.2072    1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1751    0.2767   -0.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3633   -1.3564   -0.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8286    0.2195   -2.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3985    0.8807   -2.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0656   -0.8954   -2.2911 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
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  9 19  1  0
 10 20  1  0
 10 21  1  0
 10 22  1  0
 11 23  1  0
 11 24  1  0
 11 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers