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
    4.5370    0.0261    1.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3145    0.2559    0.4652 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0836    0.1727    1.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0416   -0.1308    2.2912 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8404    0.4373    0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9497    0.7441   -0.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.3207    1.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5942    0.5300    0.3633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9676   -0.2683   -0.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6218    0.5323   -1.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1508   -1.1664   -0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4371   -0.3522    2.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0696    1.0180    1.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1918   -0.6322    0.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9452    0.8001   -1.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1100    0.9532   -1.5672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4415   -0.6212    1.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3781    1.1252    1.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320   -1.0074   -1.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0056    1.4783   -1.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793    0.7367   -2.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4918   -0.0302   -2.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4999   -1.7301   -1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9436   -0.4578    0.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7809   -1.8152    0.6552 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