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
    4.2148    0.7802    1.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9078    0.7524    0.6304 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3509   -0.4429    0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9971   -1.4966    0.3572 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9720   -0.5014   -0.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5696   -1.7007   -0.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2251    0.7613   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0137    0.7371   -0.9706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0211    0.0794   -0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9003   -0.7953   -1.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9897    1.0877    0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417    0.0007    1.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4244    1.7485    1.6677 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9507    0.6519    0.3689 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -2.5955   -0.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3873   -1.8692   -1.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8683    1.5710   -0.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1283    1.1231    0.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267   -0.4775    0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1073   -1.7785   -0.6535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4736   -1.0790   -2.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8973   -0.3675   -1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5140    1.5278    1.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8414    0.4647    0.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3645    1.8181   -0.3872 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