Monomers
2-Pentenoic acid
Identifiers
IUPAC name
(E)-pent-2-enoic acid
InchI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
InchI Key
YIYBQIKDCADOSF-ONEGZZNKSA-N
SMILES
CC/C=C/C(=O)O
Canonical SMILES
CCC=CC(=O)O
Isomeric SMILES
CC/C=C/C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
37.3
MolLogP
1.0372
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-1.9706 -0.1136 0.8457 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4617 0.0179 -0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0110 0.0403 -0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8476 -0.0460 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2735 -0.0182 0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0340 -0.1015 1.1444 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8082 0.1013 -1.1008 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4592 0.5006 1.5778 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0525 0.1212 0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8696 -1.1804 1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8623 0.9901 -0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8892 -0.7757 -1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4180 0.1337 -1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4614 -0.1408 1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7336 0.4711 -1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
4 5 1 0
5 6 2 0
5 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
3 13 1 0
4 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers