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
-3.4307 0.1424 -0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1440 -0.3228 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9405 0.3441 -0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2814 -0.1269 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1836 -1.0029 1.0947 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6104 0.3805 -0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7454 1.2174 -1.2025 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7156 -0.0992 0.3872 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0464 0.3271 0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2861 0.2733 -1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7433 1.1004 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1853 -0.6541 -0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2651 -0.1099 1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0805 -1.4278 -0.0796 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0311 1.4547 -0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8540 -0.0395 -1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1211 -1.3381 1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7589 -1.3895 1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0238 0.7591 -0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6853 -0.5656 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3066 1.0774 0.8725 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