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
1.4527 0.4171 2.2127 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2091 -0.3691 2.5616 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7781 -0.2955 1.5587 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6229 -0.7081 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8017 0.1261 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6505 -0.2518 -2.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8363 0.6060 -3.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3256 1.0766 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2451 -0.3298 1.9096 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8721 0.9615 3.0878 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2153 0.0827 3.4814 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4359 -1.4260 2.8188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3525 -1.7196 0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0730 1.1437 -0.5054 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3764 -1.2719 -2.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7195 0.3035 -4.1200 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1144 1.6545 -2.9166 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