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
    4.4019    1.3998    0.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0008    1.3434    0.6296 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2819    0.5494   -0.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9083   -0.1699   -1.0506 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7890    0.5593   -0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2329    1.3307    0.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0400   -0.2999   -1.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2951   -0.3367   -1.1019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9821   -0.7737   -0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5602   -2.1924   -0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1350    0.0365    0.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7029    1.9348    1.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8064    1.9982   -0.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8696    0.3944    0.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8516    1.9384    1.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8177    1.4201    0.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3867   -1.3722   -0.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4124   -0.1167   -2.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2803   -0.9675    0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2547   -2.3781    0.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1699   -2.1656   -1.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7636   -2.9314   -0.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1788    0.1087    1.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1330    1.0819    0.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1140   -0.3914    0.1565 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