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
-2.2358 0.3488 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3279 -0.4376 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0542 0.0400 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0350 -0.7476 -0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3676 -0.1950 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2823 -0.9337 0.5318 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6333 1.1511 -0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5823 1.2713 -0.2952 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0962 -0.2836 0.5639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6575 0.6725 1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4620 -1.5040 -0.4836 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6154 -0.2415 -1.7259 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2466 1.0854 -0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8517 -1.7917 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5062 1.5658 0.2306 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