Monomers

Methyl 3-methyl-2-methylidenepentanoate

Identifiers

IUPAC name
methyl 3-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-5-6(2)7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
KUZGPOJHTGUYAO-UHFFFAOYSA-N
SMILES
CCC(C(=C)C(=O)OC)C
Canonical SMILES
CCC(C)C(=C)C(=O)OC
Isomeric SMILES
CCC(C)C(=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
   -2.2135    1.5551    0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0315    0.7170   -0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753   -0.2131    0.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4673   -1.0810    0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -2.3849    0.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7616   -0.5216    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7358   -1.2769   -0.1714 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788    0.8526    0.1004 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2490    1.3380   -0.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9107   -0.9931    1.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2630    2.5340   -0.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1168    0.9536   -0.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0481    1.7566    1.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1927    1.4024   -0.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3351    0.1444   -1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460    0.4384    1.7024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6258   -2.8755    0.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1405   -3.0082    0.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9260    1.3786    0.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2089    2.3387   -0.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    0.6184   -0.9686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7201   -0.3416    1.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2029   -1.6583    0.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6773   -1.6734    2.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  3 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  5 17  1  0
  5 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