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
2.4076 0.2316 -0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2254 0.0978 0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0466 -0.4907 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0674 0.2042 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2855 -0.2949 -0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2296 -1.4444 -1.1352 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4670 0.4215 -0.7002 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3434 0.1584 0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3825 1.2508 -0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4444 -0.5394 -0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9567 1.0625 1.1439 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5121 -0.6360 1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0634 -1.4683 -0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1516 1.2091 0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1809 0.2380 -1.4202 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