Monomers
2-Pentenoic acid
Identifiers
IUPAC name
(E)-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-ONEGZZNKSA-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
-2.0364 0.3969 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7758 0.4071 -0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1317 -0.9165 -0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0661 -1.1460 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9873 -0.1888 0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1724 -0.5870 0.7303 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7957 1.1606 0.5593 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9487 0.2335 -0.2835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9094 -0.3655 1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1151 1.3972 0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1621 0.5386 -1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1525 1.2405 -0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7307 -1.7743 -0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4029 -2.2111 -0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5379 1.8147 0.8015 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