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
-2.4229 0.7115 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0072 -0.7396 -0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5919 -0.8470 -0.0963 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0293 -0.3626 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2549 -0.0139 1.1083 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1201 -0.1170 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3806 0.2382 0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3905 0.8642 0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4831 1.0942 -1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6521 1.2547 0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5376 -1.2548 0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2909 -1.2429 -1.2176 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6348 -0.2726 1.9416 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6727 0.3619 2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7394 -0.4853 -0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7870 0.6186 0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0855 0.1924 -0.7702 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