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
-2.2933 0.4676 -0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9298 0.1942 0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5477 -0.0570 1.1510 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0574 -1.1000 0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2867 -0.9396 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9761 0.3266 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2023 0.5089 -0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9222 -0.3373 -1.1225 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9135 1.4626 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4110 0.5416 -0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1545 1.1195 1.5595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5519 -0.6270 1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4634 -2.0407 0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7692 -1.7828 -0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4860 1.1233 0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6918 -0.3080 -0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7179 1.4482 -0.0731 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