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
    3.5264    1.4528   -0.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7361    0.4718    0.0774 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414   -0.0939   -0.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3581    0.2980   -1.7007 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8121   -1.1076    0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1114   -1.5053    1.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3681   -1.6769   -0.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2738   -0.6708   -0.9227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7623   -0.0090    0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3772    1.4579    0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2645   -0.1849    0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9082    2.3303   -0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2477    1.8455    0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1121    1.0299   -1.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9519   -1.0978    1.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -2.2456    1.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0151   -2.1892   -1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8772   -2.4347    0.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2929   -0.4620    1.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6237    1.6882    0.9781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2711    2.0771    0.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9536    1.7850   -0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7470   -0.2099   -0.6619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6893    0.6072    0.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4241   -1.1563    0.8511 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