9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one

C8H10O4 — CID 15491394

IUPAC9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESCOC1=CC(=O)CC12OCCO2
InChIInChI=1S/C8H10O4/c1-10-7-4-6(9)5-8(7)11-2-3-12-8/h4H,2-3,5H2,1H3
InChIKeyGYOUOFWWGDFTNK-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.23
Rot. Bonds1

About 9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one

9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one (PubChem CID 15491394) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one.

Molecular Properties

Compound Name9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
PubChem CID15491394
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESCOC1=CC(=O)CC12OCCO2
InChIInChI=1S/C8H10O4/c1-10-7-4-6(9)5-8(7)11-2-3-12-8/h4H,2-3,5H2,1H3
InChIKeyGYOUOFWWGDFTNK-UHFFFAOYSA-N
XLogP0.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Dioxaspiro[4.4]non-8-en-7-one
CID 11480486
(3aR,6aR)-6-methoxy-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 134996476
3,4-Diethoxycyclopent-2-en-1-one
CID 154192221
3-Methyl-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 13197629
8-Chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 15315373
8-Chloro-9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 15383054

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one?
The IUPAC name of 9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one (CID 15491394) is 9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one.
What is the SMILES notation for 9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one?
The canonical SMILES for 9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one is COC1=CC(=O)CC12OCCO2.
What is the InChIKey of 9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one?
The InChIKey is GYOUOFWWGDFTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-10-7-4-6(9)5-8(7)11-2-3-12-8/h4H,2-3,5H2,1H3.
What are the key properties of 9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one?
9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one has a molecular weight of 170.16 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one is sourced from PubChem (CID 15491394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).