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
-3.6490 0.0536 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9660 0.9717 0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4721 1.1002 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8965 -0.2760 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5668 -0.2919 -0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1238 0.8001 -0.4126 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3261 -1.4281 -0.1115 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7132 -1.4666 -0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5053 -0.6371 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2342 0.3531 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2979 0.2615 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7381 0.3185 -0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5871 -1.0094 -0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0654 0.5988 1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4286 1.9869 0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0115 1.7670 0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3176 1.5568 -0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9963 -0.6095 1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4514 -0.9529 -0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8637 -1.2030 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9983 -2.5576 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4926 -0.8365 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8112 0.9535 0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2423 0.5469 -0.9987 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