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
    4.8040   -0.7358   -0.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6156    0.0031   -0.4545 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828   -0.4786   -0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3718   -1.5893    0.5564 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1378    0.2372   -0.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1593    1.3853   -0.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1677   -0.3403    0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2275    0.4941   -0.1610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3913   -0.0990    0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0944    0.7665    1.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3210   -0.3871   -0.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5470   -0.4258   -0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -1.8109   -0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2437   -0.4280    0.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2487    1.9155   -1.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0865    1.7990   -1.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3619   -1.3283   -0.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1349   -0.4125    1.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1937   -1.0720    0.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4618    0.7730    2.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0285    0.2123    1.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2845    1.7817    0.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9685   -1.2348   -0.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9480    0.5034   -1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6577   -0.6714   -1.7233 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