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
-3.3362 0.1806 -0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2094 -0.4031 0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7737 -0.8904 0.7406 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8947 0.3418 0.5784 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5307 -0.0096 0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8973 -1.1833 1.0446 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4838 0.9739 0.6728 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8771 0.7573 0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3677 -0.2289 -0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2948 0.1065 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3997 0.0078 -1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1120 1.2606 -0.8358 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7128 -0.3586 -1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4627 0.3662 1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8824 -1.2669 0.6187 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6531 -1.3185 1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5090 -1.6139 -0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0988 0.7413 -0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1489 1.1181 1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3612 1.7433 0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0992 0.4081 1.8785 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9170 -1.2351 -0.1304 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6568 -0.5952 -1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7078 1.0980 -0.9934 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