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
    4.2976    0.5377   -0.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3338   -0.1287   -0.1033 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0026   -0.2355   -0.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5832    0.3196   -1.4489 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0922   -0.9568    0.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5456   -1.5258    1.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3497   -1.0689    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8750    0.2210    0.1089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2317    0.2241   -0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0541    0.8343    0.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5615    0.9407   -1.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0847    0.3657   -1.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2982    0.1253   -0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2669    1.6090   -0.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8924   -2.0735    2.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5962   -1.4426    1.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5493   -1.5649   -0.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9081   -1.5994    0.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5626   -0.8327   -0.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1085    0.4912    0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0111    1.9270    0.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7199    0.3861    1.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5221    0.2744   -2.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9341    1.8646   -1.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6058    1.3080   -1.3793 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