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
-3.3080 -0.6148 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9254 -0.0446 0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0267 -0.2424 -0.4838 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2582 0.1478 -0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2903 -0.2595 0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5610 0.2932 -0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6584 0.7705 -0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3185 -1.7260 0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6039 -0.2496 -0.7837 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0212 -0.2469 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5543 -0.5632 1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0754 1.0268 0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4648 0.8896 -1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0246 -0.9652 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1488 -0.4188 0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6553 0.6540 0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7720 1.5490 -1.1921 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