Monomers

Methyl 4-methyl-2-methylidenepentanoate

Identifiers

IUPAC name
methyl 4-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-6(2)5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
FVAWMVZVWUHHOB-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)CC(C)C
Canonical SMILES
CC(C)CC(=C)C(=O)OC
Isomeric SMILES
CC(C)CC(=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
    2.9529    1.2384    1.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8652    0.7165    0.6294 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6841   -0.6577    0.5841 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5152   -1.3880    1.1826 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5537   -1.2387   -0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4241   -2.5429   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4303   -0.3823   -0.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1360    0.5766    0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1028    1.3820   -0.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9282   -0.1673    1.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2839    2.2258    0.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8402    0.5811    1.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6836    1.4316    2.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1514   -3.1390    0.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4085   -2.9690   -0.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1158    0.2213   -1.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2171   -1.0179   -1.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4636    1.2869    0.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5607    2.2778   -1.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3734    0.8018   -1.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9936    1.6803   -0.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3633   -0.2333    2.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -1.1562    0.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8299    0.4724    1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 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