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
-2.6811 0.4453 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1868 -0.8364 0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8467 -0.8700 0.8347 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2357 -0.6650 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3022 -0.0382 0.4868 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4840 0.1925 -0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5026 0.8233 0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1233 1.0438 0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9507 1.0472 -0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5363 0.2647 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3852 -1.6432 -0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7836 -1.1343 1.3853 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2614 -1.0064 -0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2752 0.3034 1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5382 -0.1312 -1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4759 1.1649 1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4184 1.0395 -0.3899 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