4-methoxy-1-oxaspiro[4.5]dec-3-en-2-one

C10H14O3 — CID 581148

IUPAC4-methoxy-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCOC1=CC(=O)OC12CCCCC2
InChIInChI=1S/C10H14O3/c1-12-8-7-9(11)13-10(8)5-3-2-4-6-10/h7H,2-6H2,1H3
InChIKeyOZYSHFZNDKTNCV-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.78
Rot. Bonds1

About 4-methoxy-1-oxaspiro[4.5]dec-3-en-2-one

4-methoxy-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 581148) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-methoxy-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-methoxy-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID581148
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name4-methoxy-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCOC1=CC(=O)OC12CCCCC2
InChIInChI=1S/C10H14O3/c1-12-8-7-9(11)13-10(8)5-3-2-4-6-10/h7H,2-6H2,1H3
InChIKeyOZYSHFZNDKTNCV-UHFFFAOYSA-N
XLogP1.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-methoxy-1-oxaspiro[4.5]dec-3-en-2-one (CID 581148) is 4-methoxy-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-methoxy-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-methoxy-1-oxaspiro[4.5]dec-3-en-2-one is COC1=CC(=O)OC12CCCCC2.
What is the InChIKey of 4-methoxy-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is OZYSHFZNDKTNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-12-8-7-9(11)13-10(8)5-3-2-4-6-10/h7H,2-6H2,1H3.
What are the key properties of 4-methoxy-1-oxaspiro[4.5]dec-3-en-2-one?
4-methoxy-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 581148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).