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
-3.2297 0.9335 1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8561 0.8734 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9210 -0.0785 -0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6318 -0.2091 -1.5037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4863 -0.7272 -0.6833 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4102 -1.0644 0.5115 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7372 -0.8480 -1.3053 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8274 -1.3157 -0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2918 -0.4729 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7233 0.6722 0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2452 1.8668 1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3734 0.0233 1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9740 0.9642 0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0740 0.5816 1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6208 1.9043 0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7511 0.2657 -1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2352 -1.0943 -0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8126 -0.8731 -2.3724 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2767 0.7574 -1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7021 -1.3629 -1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6869 -2.3706 -0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1365 -0.8269 1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8841 1.1384 0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1160 1.2628 1.6877 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