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
-1.9860 0.5519 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8913 -0.0596 0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1088 -1.0573 -0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1449 -1.0207 -0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0619 0.0004 0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3122 -0.1359 -0.1699 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7563 1.1243 0.8390 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5195 1.4608 -0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7739 0.9018 0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3355 -0.1269 -0.9659 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3462 0.7693 1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3778 -0.6124 1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7124 -1.9202 -0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5543 -1.8969 -0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2218 2.0216 0.7650 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