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
-2.7918 0.1498 0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7661 -0.4389 -0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3890 -0.5149 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1643 0.8170 0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4509 0.6014 0.9571 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4364 0.0132 0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6615 -0.1898 0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3748 0.4672 1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6830 -0.5205 0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2226 1.0909 -0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0754 -1.4778 -0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7060 0.1146 -1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4028 -1.1525 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2778 -0.9604 -0.7557 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3351 1.4451 -0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4811 1.4013 1.0601 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2100 -0.3125 -0.8415 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9265 0.1142 1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4299 -0.6474 0.0070 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