Monomers

Methyl 4-methyl-2-methylidenepentanoate

Identifiers

IUPAC name
methyl 4-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-6(2)5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
FVAWMVZVWUHHOB-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)CC(C)C
Canonical SMILES
CC(C)CC(=C)C(=O)OC
Isomeric SMILES
CC(C)CC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
H Bond Acceptors
2
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

 24 23  0  0  0  0  0  0  0  0999 V2000
    3.1429    1.1716    0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9105    0.5522   -0.1473 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.7767   -0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6170   -1.5632    0.1654 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3947   -1.3560   -0.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2923   -2.7072   -0.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8020   -0.5980   -0.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5612    0.0873    0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8174    1.1226    0.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7278    0.8475   -0.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9593    0.8593   -0.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9697    2.2758    0.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3654    1.0604    1.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6422   -3.1716   -0.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1290   -3.3377   -0.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4992    0.1768   -1.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5037   -1.2581   -1.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0115   -0.6484    0.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3447    1.8649    0.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5527    1.7142    1.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.6642    1.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2501    1.5811   -1.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2840    1.3127    0.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3880    0.1264   -1.0141 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
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers