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
-3.6171 0.2130 -0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9519 -0.3894 0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4913 0.0700 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8310 -0.4103 -0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6067 -0.0311 -0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2941 -0.3653 -1.4610 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2460 0.6816 0.5374 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6236 1.0379 0.4699 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4231 -0.2148 0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2166 -0.4619 -0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7288 0.1125 -0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4130 -0.4084 -1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2904 1.2468 -0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9019 -1.5070 0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4958 -0.0637 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0419 -0.4733 1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4595 1.1673 0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 0.0398 -1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9777 -1.5060 -0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8436 1.5721 1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8318 1.7164 -0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3931 -0.9773 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8080 -1.3364 -0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2617 0.2874 -1.4420 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