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
    4.5562   -0.7191    0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2833   -0.1445    0.5885 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2665   -0.4385   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4664   -1.2524   -1.2297 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9318    0.2054   -0.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7646    1.0422    0.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1161   -0.1435   -1.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3335    0.4032   -1.0609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1280    0.1939    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8239    1.3534    0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2448   -0.8180   -0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7862   -1.0374   -0.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6092   -1.5557    1.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3768   -0.0171    0.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6090    1.2360    1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1127    1.5937    1.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3105   -0.0994   -2.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2567   -1.2809   -1.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5548   -0.3928    0.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4299    1.5992    1.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9134    1.1828    0.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6984    2.2339   -0.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6938   -1.6631   -0.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9402   -0.3307   -1.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7143   -1.1507    0.5652 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