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
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
-3.0700 0.7178 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1045 -0.4348 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7245 0.1297 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3319 -0.8454 -0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0934 -2.1245 -0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7150 -0.3929 -0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6842 -1.1825 -0.4938 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0633 0.9350 -0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4127 1.3707 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0943 0.3797 0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6413 1.2475 1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9518 1.4374 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2030 -1.1199 0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3794 -0.9602 -0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6719 0.9323 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5419 0.5834 0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8493 -2.8450 -0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9401 -2.4539 -0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1040 0.6045 -0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4262 2.2809 -0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6428 1.7403 0.9550 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