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
-1.3771 -1.5464 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6571 -0.8115 -1.1289 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2197 0.2411 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2830 0.4232 0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1587 1.4723 1.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2492 1.6795 2.4302 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9200 2.2776 0.3696 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7066 -2.0264 0.6878 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0433 -2.2991 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0011 -0.7940 0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3705 -0.3977 -1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0130 -1.5564 -1.6377 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 0.8756 -1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2914 -0.1789 1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7851 2.6411 0.7489 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