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
2.0362 0.0117 -0.5267 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9956 -1.3030 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0033 -1.1669 1.2477 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2882 -0.9080 0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8078 0.3050 0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1681 0.4882 0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7161 1.6899 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1564 0.0978 -1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9565 0.0671 -1.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0234 0.8830 0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9730 -1.5899 0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6023 -2.0625 -0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8560 -1.7579 0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2681 1.1569 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7778 -0.3303 -0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7179 1.8792 -0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1469 2.5396 0.6732 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