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
-2.2303 0.3999 -0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8593 0.3461 -0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1126 -0.8548 -0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0377 -0.9187 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9146 0.1481 0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6886 1.3731 0.4499 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1471 -0.1240 1.2243 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1125 0.7079 0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8843 1.1206 -0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7058 -0.6086 -0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0424 0.3396 -1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2686 1.2354 -0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6127 -1.8202 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4214 -1.9382 0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6190 0.5938 1.7609 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