Monomers
4,8-Dioxaspiro[2.5]oct-1-ene
Identifiers
IUPAC name
4,8-dioxaspiro[2.5]oct-1-ene
InchI
InChI=1S/C6H8O2/c1-4-7-6(2-3-6)8-5-1/h2-3H,1,4-5H2
InchI Key
HIQNFQSASCLYLW-UHFFFAOYSA-N
SMILES
C1COC2(OC1)C=C2
Canonical SMILES
C1COC2(C=C2)OC1
Isomeric SMILES
C1COC2(C=C2)OC1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H8O2
Heavy Atom Count
8
Molecular Weight
112.128
Exact Molecular Weight
112.0524
Valence Electrons
44
Radical Electrons
0
tPSA
18.46
MolLogP
0.6894
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
2
Aromatic Rings
0
MOL File
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
-1.6892 -0.1599 0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9066 -1.2318 -0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3035 -0.7951 -0.8897 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0771 -0.0913 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4161 0.5293 1.0117 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7754 1.0589 0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0759 0.8019 -0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5160 -0.2257 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9290 -0.4799 1.3468 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 0.1033 -0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5385 -1.5629 -1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7947 -2.1219 0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5614 1.4284 -0.5396 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2248 1.8153 1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2527 1.6418 -1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4090 -0.7102 0.4611 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 1 0
5 6 1 0
4 7 1 0
7 8 2 0
6 1 1 0
8 4 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
6 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers