7,9-dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one

C11H14O4 — CID 102074346

IUPAC7,9-dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESCOC1=CC2(C=C(OC)C1=O)CCCO2
InChIInChI=1S/C11H14O4/c1-13-8-6-11(4-3-5-15-11)7-9(14-2)10(8)12/h6-7H,3-5H2,1-2H3
InChIKeyMAKBXNYRXXDXCU-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.18
Rot. Bonds2

About 7,9-dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one

7,9-dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 102074346) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 7,9-dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name7,9-dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID102074346
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name7,9-dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESCOC1=CC2(C=C(OC)C1=O)CCCO2
InChIInChI=1S/C11H14O4/c1-13-8-6-11(4-3-5-15-11)7-9(14-2)10(8)12/h6-7H,3-5H2,1-2H3
InChIKeyMAKBXNYRXXDXCU-UHFFFAOYSA-N
XLogP1.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 7,9-dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one (CID 102074346) is 7,9-dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 7,9-dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 7,9-dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one is COC1=CC2(C=C(OC)C1=O)CCCO2.
What is the InChIKey of 7,9-dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is MAKBXNYRXXDXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-13-8-6-11(4-3-5-15-11)7-9(14-2)10(8)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 7,9-dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one?
7,9-dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 210.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 102074346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).