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
3.3669 0.9479 0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2108 -0.5044 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7839 -0.9698 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9413 -0.2500 -0.8102 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4587 -0.7200 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7829 -1.7707 -1.4162 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4325 -0.0125 -0.1533 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7950 -0.4169 -0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5193 0.5869 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4970 1.2707 0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6529 1.3113 1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3820 1.0942 0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3324 1.5953 -0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8058 -1.0859 0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6482 -0.6781 -0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7324 -2.0572 0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3672 -0.8049 1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9951 0.8279 -0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3400 -0.4363 -1.8342 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8857 -1.4430 0.2944 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1431 -0.3575 -1.1696 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2336 0.7436 1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7966 1.1299 -0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0147 1.9996 0.7472 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