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
-3.3904 1.0576 -0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3691 -0.3065 0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0615 -1.0182 -0.2763 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9457 -0.1384 0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3885 -0.6974 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4951 -1.7771 -0.6536 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5267 -0.0373 0.3636 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8358 -0.5119 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8305 0.4353 0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7319 1.0314 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6366 1.1539 -1.3641 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3824 1.2377 -1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1836 1.8689 0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2406 -0.9183 -0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3056 -0.1527 1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0433 -1.0674 -1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0793 -2.0065 0.2002 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0968 -0.0743 1.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9966 0.8768 -0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9637 -0.6151 -0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9477 -1.5331 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7913 0.6240 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7810 0.8538 -1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4394 1.7148 0.3745 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