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
    4.2451    0.7444    0.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4144   -0.0151   -0.2688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0725   -0.1471    0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6641    0.4123    1.1308 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.8966   -0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5269   -1.4846   -1.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2816   -1.0049   -0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8811    0.2554   -0.2235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1894    0.0966    0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1322    0.6480   -0.8806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5060    0.8015    1.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2161    1.8176    0.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8774    0.7235    1.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2491    0.3194    0.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8832   -2.0682   -2.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5578   -1.4037   -2.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8706   -1.6439   -0.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4025   -1.4594    0.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4407   -0.9861    0.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9436    1.2541   -0.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5908    1.3312   -1.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6326   -0.1769   -1.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6056    0.6355    1.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9963    0.3522    2.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3608    1.8949    1.3779 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