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
   -3.2273   -0.2944    0.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051    0.6129    0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8117   -0.2591    0.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4382    0.5156    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3789    1.8161    0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6772   -0.1862   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7179   -1.4429   -0.1548 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9114    0.4602   -0.1331 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1197   -0.2417   -0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0005   -0.9859   -0.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9168   -1.2858    1.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0041    0.1351    1.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6699   -0.3338   -0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8361    1.1183    1.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1707    1.3957   -0.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7166   -1.0243    1.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3090    2.4031    0.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5033    2.3764    0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    0.4951   -0.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5784   -0.6433    0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9488   -1.0605   -1.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5369   -0.4114   -1.8369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4309   -1.9371   -0.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0596   -1.2221   -1.1918 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