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
-3.4424 -0.3727 -1.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0335 0.4496 0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5457 0.5685 0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8686 -0.7733 0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5892 -0.5930 0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3861 -1.5606 0.7049 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1257 0.6603 0.5304 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5002 0.9505 0.6396 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3229 0.3480 -0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2928 -0.4956 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4991 -1.4571 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4278 -0.0305 -1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7480 -0.2410 -1.9005 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4533 0.0166 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4466 1.4702 0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3425 1.1590 1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1095 1.0965 -0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2943 -1.3125 1.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0628 -1.3778 -0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6504 2.0614 0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8263 0.5733 1.6302 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1438 0.5898 -1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5352 -0.7891 0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9014 -0.9407 -0.8871 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