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
4.2660 0.1640 0.6106 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8688 0.7245 0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8420 -0.3997 0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4941 0.2589 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6086 -0.7029 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4179 -1.9435 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8954 -0.2321 -0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0371 -1.0141 -0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2255 -0.1379 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0813 1.1667 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9120 0.7937 1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7702 0.0473 -0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2103 -0.8280 1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7803 1.4445 -0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6534 1.3229 1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8845 -1.0143 1.2548 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1278 -0.9574 -0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5086 1.0019 -0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3473 0.8156 1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9907 -1.6811 -1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1602 -1.7182 0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2137 -0.5523 -0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9365 1.8487 -0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0984 1.5929 -0.0243 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