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
-2.5224 0.6623 0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9729 -0.4084 -0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7045 -1.0315 -0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4179 -0.0574 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5406 -0.7676 0.4852 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7502 -0.1381 0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2931 0.6917 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2155 1.6883 -0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2302 0.4553 1.2611 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6310 0.6463 0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8311 -0.0478 -1.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7282 -1.2316 -0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8747 -1.5240 0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4041 -1.8248 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1437 0.7262 0.7363 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7161 0.4397 -0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2117 -0.3715 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2297 1.1866 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8116 0.9063 -1.0632 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