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
    3.7302    1.0020    0.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9368    0.0945   -0.1551 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6045   -0.2131    0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2396    0.3980    1.2340 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -1.1433   -0.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5190   -1.6721   -1.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5051   -1.6260   -0.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4857   -0.7565   -0.4646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8473    0.2210    0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6980    1.6272   -0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2951    0.1344    0.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5316    1.3597   -0.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1528    0.4769    1.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    1.8814    0.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0804   -2.3695   -2.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.3517   -1.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5012   -2.2610    0.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6640   -2.4601   -1.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2530    0.2793    1.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8704    1.6952   -0.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6440    1.8566   -0.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5560    2.3888    0.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4415   -0.6880    1.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9692    0.0550   -0.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5784    1.0715    1.3585 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