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
3.7055 0.8059 -0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9963 -0.4686 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5372 -0.4649 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7281 0.5215 0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6882 0.4010 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5241 1.1698 0.5678 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1482 -0.4894 -0.9188 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5424 -0.5146 -1.2566 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3754 -0.8290 -0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3030 -0.0140 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0863 1.7141 -0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1240 0.8680 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5860 0.9435 0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1163 -0.7197 1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5103 -1.2885 -0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4208 -0.2534 -1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1158 -1.4784 -0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7363 0.3516 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0563 1.5455 0.1829 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8011 0.5213 -1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7303 -1.2076 -2.0802 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2020 -1.7708 0.4192 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8799 -0.2937 1.2659 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5248 0.9506 -0.0515 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