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
Resources
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
-1.8830 0.9484 -0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7894 -0.5600 -0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9800 -0.9002 0.7919 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4220 -0.3546 0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1453 -0.8564 -0.3733 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4655 -0.3917 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7100 0.9004 -0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0347 1.3218 -1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8307 1.2308 -1.1205 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8852 1.3735 0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4123 -1.0536 -1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8266 -0.9189 -0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4870 -0.4626 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9154 -1.9937 0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4807 0.7317 0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9429 -0.7470 1.6477 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2606 -1.1169 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7174 1.2420 -0.5942 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8999 1.6069 -0.4040 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