Monomers
Vinyl butyrate
Identifiers
IUPAC name
ethenyl butanoate
InchI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3
InchI Key
MEGHWIAOTJPCHQ-UHFFFAOYSA-N
SMILES
CCCC(=O)OC=C
Canonical SMILES
CCCC(=O)OC=C
Isomeric SMILES
CCCC(=O)OC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.4732
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
18 17 0 0 0 0 0 0 0 0999 V2000
1.3945 0.8177 0.7805 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9387 -0.4921 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3490 -0.7505 -1.1479 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1207 -0.8802 -1.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7082 -1.9867 -1.3683 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9794 0.1457 -0.7701 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3569 0.0143 -0.7306 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0665 1.0303 -0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4058 0.7266 1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1539 1.2002 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3805 1.5717 -0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7194 -1.2909 0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0191 -0.3552 0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7280 -0.0151 -1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7487 -1.7588 -1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8817 -0.8884 -1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5874 1.9430 -0.0524 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1367 0.9685 -0.2971 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 2 0
4 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
7 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers