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
-2.5004 -0.6680 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8702 0.4116 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0916 1.2979 -0.0134 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0437 0.7451 -0.7157 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0844 0.4831 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1737 -0.0949 -0.8549 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3167 -0.3646 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5954 -0.4366 -0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0120 -0.6564 -1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3413 -1.6800 0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1559 -0.0387 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5835 1.0044 1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1897 0.5394 -1.7727 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1929 0.6989 0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0322 -0.3016 -1.9089 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4112 -0.1420 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1726 -0.7977 -0.7577 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