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
Resources
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
-2.5739 -0.2762 -1.9377 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3974 0.6560 -1.6649 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4472 0.2124 -0.8470 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1157 -0.2180 0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4589 0.0147 0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9753 -0.4916 1.7193 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4577 -0.9643 2.7965 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1972 -0.1860 -0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2594 -1.3118 -2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2216 0.0652 -2.7575 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9970 0.8962 -2.7019 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8875 1.6655 -1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4443 -0.8439 0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9230 0.6218 -0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1812 0.2067 1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8515 -1.6059 3.4766 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4622 -0.8370 3.2063 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