9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]decane-1,6,8-trione

C15H22O5 — CID 645558

IUPAC9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]decane-1,6,8-trione
SMILESCC(C)COCC1CC2(CC(C)C(=O)CC2=O)C(=O)O1
InChIInChI=1S/C15H22O5/c1-9(2)7-19-8-11-6-15(14(18)20-11)5-10(3)12(16)4-13(15)17/h9-11H,4-8H2,1-3H3
InChIKeyAPRSGORHRBTTNJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.53
Rot. Bonds4

About 9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]decane-1,6,8-trione

9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]decane-1,6,8-trione (PubChem CID 645558) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]decane-1,6,8-trione.

Molecular Properties

Compound Name9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]decane-1,6,8-trione
PubChem CID645558
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]decane-1,6,8-trione
SMILESCC(C)COCC1CC2(CC(C)C(=O)CC2=O)C(=O)O1
InChIInChI=1S/C15H22O5/c1-9(2)7-19-8-11-6-15(14(18)20-11)5-10(3)12(16)4-13(15)17/h9-11H,4-8H2,1-3H3
InChIKeyAPRSGORHRBTTNJ-UHFFFAOYSA-N
XLogP1.53
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]decane-1,6,8-trione?
The IUPAC name of 9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]decane-1,6,8-trione (CID 645558) is 9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]decane-1,6,8-trione.
What is the SMILES notation for 9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]decane-1,6,8-trione?
The canonical SMILES for 9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]decane-1,6,8-trione is CC(C)COCC1CC2(CC(C)C(=O)CC2=O)C(=O)O1.
What is the InChIKey of 9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]decane-1,6,8-trione?
The InChIKey is APRSGORHRBTTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-9(2)7-19-8-11-6-15(14(18)20-11)5-10(3)12(16)4-13(15)17/h9-11H,4-8H2,1-3H3.
What are the key properties of 9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]decane-1,6,8-trione?
9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]decane-1,6,8-trione has a molecular weight of 282.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(2-methylpropoxymethyl)-2-oxaspiro[4.5]decane-1,6,8-trione is sourced from PubChem (CID 645558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).