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
   -1.1937    1.9060    0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8152    0.7786    0.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1638   -0.5726    0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1780   -0.6603   -0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4077   -1.3050   -1.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3434   -0.1168    0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    0.4661    1.4168 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6306   -0.2567   -0.2557 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6912    0.3072    0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780   -1.4857   -0.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9201    2.8012    0.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0427    1.6912    1.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3056    2.3130    0.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8753    0.6721    0.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9910    1.0286   -0.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792   -0.9466    1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3617   -1.7829   -2.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4020   -1.3709   -1.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3261    1.2579    0.9215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1034   -0.3910    1.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4837    0.6022   -0.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -2.4793   -0.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1390   -0.9854   -1.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -1.4707   -0.1593 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