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
-2.2779 0.3612 -0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2441 0.1943 0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1220 0.2759 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9617 -0.7387 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2988 -0.6507 -0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0961 -1.6064 -0.2745 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7159 0.4929 -1.0353 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6562 -0.6261 -0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8781 0.9507 -1.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1453 0.8925 -0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4333 -0.7901 1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3582 1.0219 1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4093 1.1852 -0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6703 -1.6383 0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7191 0.6757 -1.0375 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