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
-2.1534 0.8758 0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3955 -0.4443 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0600 -0.3024 -0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0243 -0.5164 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3707 -0.3905 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3922 -0.5975 0.5643 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5966 -0.0351 -1.4657 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9918 0.8482 0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4332 1.6563 0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4588 1.0989 -0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2951 -0.6529 1.3997 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9827 -1.2844 -0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0289 -0.0246 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9378 -0.7962 1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4199 0.5653 -1.6289 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