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
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
-3.0964 0.3516 0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6314 0.3546 0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1332 -0.9396 -0.1065 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1877 -1.1790 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0838 -0.2690 -0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4966 -0.4695 -0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4050 0.4532 -0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4686 1.3937 0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6355 -0.3493 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3311 0.0636 1.5272 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4700 0.9969 -0.7143 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0708 0.7297 1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4727 -2.1212 -0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7955 0.6736 0.2414 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8589 -1.4066 -0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0858 1.3873 0.1664 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4508 0.3301 -0.4803 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