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
    4.4041    0.4177    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0173    0.2929   -0.2305 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2872   -0.5300    0.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8618   -1.1230    1.5298 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8311   -0.7284    0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2242   -1.5169    1.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1779   -0.0118   -0.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1435   -0.1550   -0.8162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9854    0.2615    0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1379   -0.6482    0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6704    1.6017   -0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7845   -0.5135    0.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6105    1.2942    0.6801 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8758    0.6231   -0.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8023   -1.7745    1.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8412   -1.9898    2.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3970    1.0987   -0.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7652   -0.2368   -1.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4811    0.5770    1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3621   -0.5483    1.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458   -0.3257   -0.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9312   -1.7207    0.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2859    1.8865    0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3421    1.4136   -1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8901    2.3556   -0.4469 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