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
-1.6933 -0.0384 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0022 0.2351 -1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3404 0.1810 -1.1521 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0280 0.2296 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3499 0.3093 1.1669 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6947 -0.6434 1.1179 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3585 0.9343 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3878 -0.4006 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5672 -0.7069 0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0535 0.9005 0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3886 -0.5291 -1.8909 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3338 1.2182 -1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3348 -1.6248 0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1212 -0.6712 2.1327 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7858 1.9303 -0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9389 -1.3240 -0.0188 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