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
3.0818 -0.0902 -1.0408 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0133 -0.2979 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7980 -0.4667 -0.6664 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3628 -0.6755 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3229 0.2128 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5681 -0.0039 0.7118 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5129 0.9027 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8666 0.9066 -1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8498 -0.8544 -1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0866 -0.1900 -0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0001 0.5661 0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2310 -1.2054 0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4616 -1.5689 0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1998 1.1227 -0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6787 -0.9066 1.3027 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4269 0.7562 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3935 1.7923 0.0494 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