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
-2.2100 0.6309 0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3730 -0.6290 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0064 -0.2225 -0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0483 -0.5787 0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4025 -0.1503 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3725 -0.5093 0.7800 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6807 0.6654 -1.0235 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2620 0.3359 0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1469 1.2933 -0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8589 1.1512 1.0802 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8584 -1.1498 -0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4167 -1.2486 0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1715 0.4234 -1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8825 -1.2118 1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5614 1.2001 -1.0448 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