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
-3.4210 0.2240 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3927 0.6523 0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5213 -0.4827 1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7529 -1.1223 0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1487 -0.1654 -0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3581 0.6012 -1.4734 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4917 -0.0603 -0.3736 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3742 0.8316 -1.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7441 0.6335 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9717 -0.2836 0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9740 1.1582 -0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1727 -0.4736 0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9529 -0.2447 -1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7448 1.4122 0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9219 1.1001 1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8599 -0.1218 2.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1883 -1.2379 1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4956 -1.5662 -0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1993 -1.9959 0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0906 1.8958 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4538 0.6239 -2.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5968 1.2135 -0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9358 -0.4693 0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1479 -0.8971 0.8482 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