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
-2.6707 -0.4824 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0267 0.8858 -0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8500 0.8683 -0.8826 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1717 -0.0213 -0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2527 0.3736 0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3336 -0.5561 0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4126 -0.1820 1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1130 -1.1449 -0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6870 -0.3290 -0.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7275 -0.9711 0.8327 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7364 1.1396 0.9486 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6917 1.6948 -0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0485 -1.0451 -0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3661 1.4005 0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2219 -1.5773 0.0578 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5127 0.8383 1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1832 -0.8918 1.2264 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