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
    3.2558    1.2008   -2.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269    0.8456   -2.0218 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3218   -0.2481   -1.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667   -0.9361   -1.2214 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2775   -0.6259   -0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4578   -1.6722    0.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    0.1766   -0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7883   -0.3994    0.8095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0041    0.2403    1.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2435    0.6398    2.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0846   -0.7461    0.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9468    2.1707   -3.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2140    1.2419   -2.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3415    0.4866   -3.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6941   -1.9605    1.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588   -2.2415    0.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4636    0.1568   -1.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3025    1.2082    0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0850    1.1155    0.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9911   -0.0038    2.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6842    1.6721    2.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3126    0.7347    3.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6738   -1.5217   -0.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9882   -0.2499    0.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4484   -1.2842    1.5272 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