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
-3.5746 -0.2579 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1335 0.6399 -0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6422 0.8633 -0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8742 -0.4337 -0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5855 -0.1013 -0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0893 0.5490 0.5107 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4437 -0.4923 -1.4610 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8244 -0.1806 -1.4317 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5508 -0.7670 -0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1989 -0.0749 0.6337 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9990 -0.0464 1.7405 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4631 -1.3217 0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6560 -0.0707 1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6301 1.6183 -0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4744 0.2227 -1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3818 1.5312 -1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3358 1.3198 0.6494 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1085 -1.0694 0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1702 -0.9739 -1.3571 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2569 -0.4525 -2.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9805 0.9368 -1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5528 -1.8500 -0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7031 -0.5990 1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2575 1.0103 0.6387 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