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
-1.4206 0.2965 0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8049 1.3810 -0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5784 1.2472 -0.2336 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9236 -0.0492 -0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1619 -0.8244 -0.9557 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9119 -1.0283 0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0314 -0.6480 0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2512 -0.2926 -1.2094 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5161 0.3581 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1572 0.5003 1.7258 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1722 1.2841 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0713 2.3588 0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2463 -1.5346 0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7655 -1.7145 -0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4947 -1.0669 1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9485 -0.2677 -2.0111 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