Monomers
Butyl vinyl ether
Identifiers
IUPAC name
1-ethenoxybutane
InchI
InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3
InchI Key
UZKWTJUDCOPSNM-UHFFFAOYSA-N
SMILES
CCCCOC=C
Canonical SMILES
CCCCOC=C
Isomeric SMILES
CCCCOC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H12O
Heavy Atom Count
7
Molecular Weight
100.161
Exact Molecular Weight
100.0888
Valence Electrons
42
Radical Electrons
0
tPSA
9.23
MolLogP
1.9466
H Bond Acceptors
1
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
19 18 0 0 0 0 0 0 0 0999 V2000
-3.2001 0.3857 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8849 -0.3202 -0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7079 0.5868 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5430 -0.2287 -0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7144 0.5051 0.0539 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9278 -0.1415 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8285 -0.1874 0.8332 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3621 0.7027 0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9998 -0.3346 -0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2462 1.2655 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8194 -0.6758 -1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8859 -1.2193 0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7395 1.4050 -0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7665 0.9806 1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5017 -0.6330 -1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5193 -1.0671 0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1755 -0.6272 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6242 0.2845 1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7777 -0.6812 0.7196 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 1 0
6 7 2 3
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
3 13 1 0
3 14 1 0
4 15 1 0
4 16 1 0
6 17 1 0
7 18 1 0
7 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers