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
-3.2421 -0.4406 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0649 0.4874 0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9424 -0.1466 -0.1822 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2891 0.4650 -0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3633 -0.2782 -0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6866 0.3103 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7402 -0.4455 -0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3155 -0.5897 -0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9702 -1.4140 0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1832 -0.0177 0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8906 0.5798 1.5407 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2305 1.4966 0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3303 1.5257 -0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2565 -1.3678 -0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7794 1.3620 -0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6752 -1.5364 -0.5406 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7187 0.0097 -0.3887 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