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
1.8745 -0.8829 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4250 -0.9307 -0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1804 0.1439 -1.2426 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6899 1.0561 -1.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5972 1.2434 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4395 2.2384 -0.0201 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7354 0.4756 1.1241 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8956 -1.5593 1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0285 0.1575 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5720 -1.1743 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2003 -0.9070 0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2548 -1.9411 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8075 0.1518 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7609 1.8096 -1.9242 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6150 0.1190 1.4581 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