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
-2.1658 0.8323 0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4135 -0.4895 0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0401 -0.1989 0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8835 -0.6491 -0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3068 -0.3739 -0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1319 -0.7877 -1.2358 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8216 0.3951 0.6537 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7519 1.3435 -0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8897 1.4749 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2445 0.6934 0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6215 -1.0194 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7528 -1.0938 1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3608 0.4080 1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4971 -1.2414 -1.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7979 0.7066 0.6366 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