Monomers
1-Ethoxy-buta-1,3-diene
Identifiers
IUPAC name
1-ethoxybuta-1,3-diene
InchI
InChI=1S/C6H10O/c1-3-5-6-7-4-2/h3,5-6H,1,4H2,2H3
InchI Key
LDVKFLIDEBQMNX-UHFFFAOYSA-N
SMILES
CCOC=CC=C
Canonical SMILES
CCOC=CC=C
Isomeric SMILES
CCOC=CC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O
Heavy Atom Count
7
Molecular Weight
98.145
Exact Molecular Weight
98.0732
Valence Electrons
40
Radical Electrons
0
tPSA
9.23
MolLogP
1.7226
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
17 16 0 0 0 0 0 0 0 0999 V2000
-3.2178 -0.2110 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8369 0.3958 -0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9500 -0.5396 0.3756 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3676 -0.1319 0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2447 -0.3196 -0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6172 0.1164 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5216 -0.0492 -1.1758 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7308 0.0113 -1.2581 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7973 0.1250 0.5797 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1213 -1.3027 -0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4942 0.6715 -1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8811 1.3332 0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6438 0.3383 1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9969 -0.7866 -1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8512 0.5896 0.7203 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5312 0.2739 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2552 -0.5144 -2.1016 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 2 3
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
4 13 1 0
5 14 1 0
6 15 1 0
7 16 1 0
7 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers