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
3.1617 -0.8509 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4228 -0.9517 -0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9371 0.3951 -1.1613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9989 1.0794 -0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2416 0.3406 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4369 -0.7719 -0.5071 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2316 0.7938 0.8887 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4262 0.0996 1.1617 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2522 -0.1560 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4815 0.3314 -0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4660 -0.9744 1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9845 -1.6156 0.7019 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6409 0.1388 0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6683 -1.7390 -0.6822 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2084 -1.2630 -1.4447 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8607 1.0465 -1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5749 0.3638 -2.2085 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7757 2.0804 -0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5735 1.3085 0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9911 0.7199 1.8847 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2428 -0.8685 1.6795 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9079 -0.7326 -0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9173 0.9217 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1442 0.1683 -0.9250 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