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
   -0.8274    1.2395   -1.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8372    1.2621   -0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0109   -0.1087    0.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0629   -1.0450   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2613   -2.1580   -0.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4522   -0.7608    0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3961   -1.5287   -0.0768 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8154    0.4216    0.8881 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1444    0.7568    1.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3625   -0.6286   -0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3013    0.3533   -2.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220    1.3958   -2.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2051    2.1222   -2.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7513    1.8476    0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0479    1.7591    0.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0016   -0.0432    1.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082   -2.4084   -0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5336   -2.8374   -0.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3747    1.7039    0.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8602   -0.0548    0.9262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2479    0.8944    2.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5054   -0.7163   -1.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1144    0.1216    0.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6267   -1.5880    0.4323 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