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
    3.1864    1.5115    0.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0608    0.8756    0.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2238   -0.4174   -0.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3544   -0.9664   -0.2885 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1298   -1.1643   -0.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3599   -2.3766   -1.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2273   -0.5821   -1.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6981   -0.2717    0.1991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9515    0.2759    0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9208   -0.6690    0.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138    1.6629    0.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0698    2.6327    0.6799 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0917    1.3313    0.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    1.2441    1.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3217   -2.8686   -1.3416 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5463   -2.9285   -1.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1751    0.3333   -1.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8981   -1.2847   -1.6039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029    0.3415   -0.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9759   -0.4191    0.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6720   -1.7042    0.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7975   -0.6270    2.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7353    2.3791   -0.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0275    1.8708    1.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3135    1.8210    1.6262 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