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
-2.0839 0.7512 0.6361 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3716 0.7366 -0.7179 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9118 -0.6793 -0.9868 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0275 -1.1588 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2833 -2.2154 0.7853 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2860 -0.4752 0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1038 -0.8437 1.1978 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6055 0.6385 -0.4393 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8157 1.3390 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5373 0.0943 1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1370 0.3865 0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1452 1.7570 1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5646 1.4672 -0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1553 0.9805 -1.4646 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4381 -0.7276 -1.9903 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8130 -1.3236 -1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3751 -2.5801 1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2087 -2.7302 0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2511 1.1101 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5938 1.0475 -0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5913 2.4255 -0.2871 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