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
-2.7826 0.0997 0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5091 -0.6173 0.7229 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6382 -0.7589 -0.3808 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1257 0.3320 -1.0866 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1662 0.5775 -1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1257 -0.2645 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4034 0.0258 -0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2199 0.4943 1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5131 -0.6126 -0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6103 0.9279 -0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7600 -1.6660 1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9456 -0.0845 1.5173 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8562 0.9581 -1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4930 1.4311 -1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8375 -1.1288 0.0828 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7547 0.8671 -1.1259 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1800 -0.5809 -0.0954 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