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
-3.8610 0.5512 0.6447 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9510 -0.1739 -0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5021 0.2181 -0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6860 -0.5636 -1.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7606 -0.2438 -1.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6288 -0.7726 -1.7702 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2498 0.6634 -0.0958 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6203 0.9833 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4660 -0.1638 0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1787 -0.1673 1.4649 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6164 -0.1713 1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4108 1.3754 0.1603 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3017 0.9399 1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2686 0.1143 -1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0467 -1.2698 -0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1516 0.0763 0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4329 1.2990 -0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7974 -1.6557 -0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0806 -0.3497 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6867 1.8003 0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0193 1.4353 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5228 -1.0160 -0.3053 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8259 -0.9844 1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1482 0.6760 2.1552 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