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
-3.4646 0.4752 0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1999 -0.6748 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7310 -1.0266 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8867 0.1464 -0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5483 -0.1853 -0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9438 -1.3245 -0.1912 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4730 0.7586 -0.8929 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8304 0.4442 -0.9288 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3964 0.0281 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3904 0.6827 0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5483 1.4061 0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6800 0.5576 1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4418 0.3658 1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7370 -1.5793 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6100 -0.4688 -0.9927 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6102 -1.9072 -0.6624 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4514 -1.3335 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2276 0.4524 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0122 0.9801 0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3721 1.3797 -1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0084 -0.2852 -1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9836 -0.8445 0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8417 1.5686 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8128 0.3842 1.9071 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