Monomers
cis-Pent-2-enoic acid
Identifiers
IUPAC name
(Z)-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-ARJAWSKDSA-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
-2.1902 0.5284 0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3706 -0.6602 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0175 -0.1741 -0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0484 -0.6607 0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3709 -0.1317 0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3465 -0.6109 0.6867 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6316 0.8893 -0.8451 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9765 0.7019 1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8932 1.4524 -0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2521 0.3427 0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7419 -0.9701 -1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3868 -1.4764 0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1419 0.6370 -1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8905 -1.4496 1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3643 1.5821 -0.6344 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