Monomers

Methyl 2-methylidenepentanoate

Identifiers

IUPAC name
methyl 2-methylidenepentanoate
InchI
InChI=1S/C7H12O2/c1-4-5-6(2)7(8)9-3/h2,4-5H2,1,3H3
InchI Key
QLXPVMDADJJSOC-UHFFFAOYSA-N
SMILES
CCCC(=C)C(=O)OC
Canonical SMILES
CCCC(=C)C(=O)OC
Isomeric SMILES
CCCC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5157
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

 21 20  0  0  0  0  0  0  0  0999 V2000
   -3.4182    0.4599   -0.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1678   -0.0640    0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9210    0.3752   -0.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2770   -0.1637    0.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1707   -0.9134    1.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6149    0.1330   -0.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7462    0.8552   -1.3227 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7473   -0.3471    0.3202 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0614   -0.0749   -0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3290    1.5272   -0.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2597    0.3316    0.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6754   -0.1070   -1.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1736    0.3007    1.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2617   -1.1601    0.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9619   -0.0122   -1.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8776    1.4900   -0.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8008   -1.1488    1.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0449   -1.2940    1.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0842   -0.4510   -1.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7737   -0.7189    0.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3265    0.9823   -0.0592 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
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 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
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers