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
    4.2233   -0.7795    0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745    0.1652   -0.1751 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9708    0.1615    0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6597   -0.7170    1.1400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0091    1.1475   -0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    2.0517   -1.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3854    1.1658    0.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9637   -0.0560   -0.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2764   -0.1635    0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3746   -1.3999    1.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1011   -0.4770   -0.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0597   -0.2807    0.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6408   -1.3991   -0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.4699    1.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    2.0634   -1.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7137    2.7948   -1.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4584    1.3843    1.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9538    1.9391   -0.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6553    0.7247    0.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7274   -2.2054    0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0699   -1.1879    2.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4171   -1.7829    1.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7318   -1.4720   -1.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7778    0.2575   -1.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1785   -0.4648   -0.6607 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