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
-2.1064 0.9954 0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3635 -0.2845 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0659 0.0103 0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8140 -0.6680 -0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2510 -0.4124 -0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7438 0.4829 0.2640 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0682 -1.0867 -1.3223 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4765 1.6336 -0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0235 0.7613 -0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3652 1.5363 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6728 -0.6009 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7131 -1.0557 -0.0762 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5521 0.7790 1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3365 -1.4302 -0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8897 -0.6603 -1.7591 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