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
-2.9348 0.0471 -0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0338 -1.0325 0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7651 -0.5622 0.8913 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1351 0.0368 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4334 0.0402 0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3991 0.6749 -0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6753 0.6474 -0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6549 -0.3880 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5644 0.5092 0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3699 0.8272 -0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5348 -1.4601 1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8911 -1.8761 -0.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2193 0.5301 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8179 -0.4507 1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0942 1.1875 -1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0226 0.1549 0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3904 1.1144 -0.9538 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