Monomers
Allyl valerate
Identifiers
IUPAC name
prop-2-enyl pentanoate
InchI
InChI=1S/C8H14O2/c1-3-5-6-8(9)10-7-4-2/h4H,2-3,5-7H2,1H3
InchI Key
PWYXVVREDGESBB-UHFFFAOYSA-N
SMILES
CCCCC(=O)OCC=C
Canonical SMILES
CCCCC(=O)OCC=C
Isomeric SMILES
CCCCC(=O)OCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.9058
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 23 0 0 0 0 0 0 0 0999 V2000
-3.3041 1.0784 -0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0877 -0.2647 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6500 -0.7171 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7142 0.2049 0.6864 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6653 -0.3728 0.5415 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2355 -0.9673 1.4697 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3452 -0.2519 -0.6707 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6126 -0.7249 -0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7192 -0.1269 -0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6369 0.8201 0.7308 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5453 1.3322 -1.3769 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2888 1.0698 -1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3827 1.8930 0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5084 -0.2704 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6709 -1.0131 -0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6113 -1.7192 0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2990 -0.8236 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9318 0.1383 1.7909 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7073 1.2280 0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8399 -0.5658 -2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6934 -1.8396 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7199 -0.5375 -0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5447 1.1869 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6888 1.2432 0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 3
1 11 1 0
1 12 1 0
1 13 1 0
2 14 1 0
2 15 1 0
3 16 1 0
3 17 1 0
4 18 1 0
4 19 1 0
8 20 1 0
8 21 1 0
9 22 1 0
10 23 1 0
10 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers