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
-3.1009 0.0045 -0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8673 -0.5465 0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7131 0.3538 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5886 -0.0937 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5781 0.8484 -0.0129 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8733 0.6386 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6363 -0.2242 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7876 0.5669 -1.4394 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6584 0.7179 0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7823 -0.8145 -0.8708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6732 -1.5494 -0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0381 -0.6166 1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9584 1.3646 0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6443 0.4238 -1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8559 -1.1279 0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5666 -0.0179 1.5162 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1992 1.2132 1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6499 -0.3669 0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2756 -0.7744 -1.0171 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