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
-1.5926 0.3908 -0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9319 -0.8455 -0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1187 -0.3492 -1.4563 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0159 0.2526 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4990 1.3979 0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5081 0.9792 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5559 -0.7158 0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4042 -0.0580 -0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5059 0.1476 0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7496 1.1107 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5718 -1.5139 0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6981 -1.3538 -1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9014 1.8086 1.4875 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0909 0.1448 1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5216 -1.4008 1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4351 0.0050 -0.8099 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