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
-2.0890 0.9076 -0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4457 -0.4773 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0476 -0.2457 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9466 -0.6599 -0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3386 -0.4505 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2784 -0.8533 -0.7392 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6932 0.1954 1.1654 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0607 0.8573 -0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3745 1.5135 -0.8327 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2080 1.3196 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4480 -0.9947 -1.0634 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9903 -1.0701 0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1703 0.2661 1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7549 -1.1687 -1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4818 0.8609 1.1919 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