8,8-dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene

C10H14O4 — CID 597496

IUPAC8,8-dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene
SMILESCOC1(OC)C=CC2(C=C1)OCCO2
InChIInChI=1S/C10H14O4/c1-11-9(12-2)3-5-10(6-4-9)13-7-8-14-10/h3-6H,7-8H2,1-2H3
InChIKeyMTBFMHCHVSNUMJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.84
Rot. Bonds2

About 8,8-dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene

8,8-dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene (PubChem CID 597496) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 8,8-dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene.

Molecular Properties

Compound Name8,8-dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene
PubChem CID597496
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name8,8-dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene
SMILESCOC1(OC)C=CC2(C=C1)OCCO2
InChIInChI=1S/C10H14O4/c1-11-9(12-2)3-5-10(6-4-9)13-7-8-14-10/h3-6H,7-8H2,1-2H3
InChIKeyMTBFMHCHVSNUMJ-UHFFFAOYSA-N
XLogP0.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene?
The IUPAC name of 8,8-dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene (CID 597496) is 8,8-dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene.
What is the SMILES notation for 8,8-dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene?
The canonical SMILES for 8,8-dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene is COC1(OC)C=CC2(C=C1)OCCO2.
What is the InChIKey of 8,8-dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene?
The InChIKey is MTBFMHCHVSNUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-11-9(12-2)3-5-10(6-4-9)13-7-8-14-10/h3-6H,7-8H2,1-2H3.
What are the key properties of 8,8-dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene?
8,8-dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene has a molecular weight of 198.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethoxy-1,4-dioxaspiro[4.5]deca-6,9-diene is sourced from PubChem (CID 597496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).