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
-2.3869 0.1674 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2930 0.4100 0.6399 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0416 0.4749 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9816 -0.3718 0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3268 -0.3467 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5713 0.5318 -1.0518 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3142 -1.2207 0.1725 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8039 1.1303 -0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1783 -0.4721 0.0674 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0043 -0.3716 -1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5296 1.3218 1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3384 -0.4430 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2585 1.2228 -0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7445 -1.1222 1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2959 -0.9111 0.2377 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