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
-2.3893 0.0151 0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2587 0.3753 -0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0029 0.4736 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0133 -0.3092 -0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2614 -0.2305 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4151 0.5947 1.3933 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3508 -1.0422 0.1665 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8569 0.9407 0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1071 -0.6793 -0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9218 -0.5055 1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2441 -0.4294 -1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5002 1.3727 -1.2151 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1129 1.1808 0.7831 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9172 -1.0209 -1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2103 -0.9761 0.7349 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