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
-3.4116 0.6134 0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6208 0.4038 -0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1557 0.1770 -0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9909 -1.0534 0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4552 -1.2512 0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7544 -2.2423 1.2262 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4392 -0.4306 0.0253 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8109 -0.6431 0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6556 0.3824 -0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1755 1.3781 -1.0687 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1288 1.4553 0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0296 -0.2764 0.5638 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7426 0.8641 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7000 1.2840 -1.6362 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9780 -0.5027 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6041 -0.0064 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7209 1.0544 -0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4420 -1.9305 -0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5444 -0.8709 1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0754 -1.6290 -0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0187 -0.6406 1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7322 0.3082 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1133 1.4585 -1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8391 2.0980 -1.5069 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