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
    4.3702    0.4677    0.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9715    0.3110    0.1487 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4099   -0.7148   -0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1807   -1.4951   -1.1932 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9731   -0.8940   -0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5046   -1.8905   -1.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0578    0.0484    0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2783   -0.3097   -0.1582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1441    0.5510    0.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0223   -0.1871    1.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9489    1.3264   -0.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6925    1.4665   -0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9058   -0.3371   -0.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    0.3670    1.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1934   -2.5422   -1.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5682   -2.0139   -1.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2447    0.0063    1.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2693    1.0639   -0.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5246    1.3086    1.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8668   -1.2777    1.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0994    0.0056    1.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7532    0.0943    2.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6502    2.0251   -0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3970    0.6639   -1.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1984    1.9566   -1.0781 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