4,6-diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one

C12H20O5 — CID 71045023

IUPAC4,6-diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one
SMILESCCC1CC(=O)OCC12OC(OC)OC2CC
InChIInChI=1S/C12H20O5/c1-4-8-6-10(13)15-7-12(8)9(5-2)16-11(14-3)17-12/h8-9,11H,4-7H2,1-3H3
InChIKeyOLVDSNLRECCRCE-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.45
Rot. Bonds3

About 4,6-diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one

4,6-diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one (PubChem CID 71045023) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4,6-diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name4,6-diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one
PubChem CID71045023
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name4,6-diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one
SMILESCCC1CC(=O)OCC12OC(OC)OC2CC
InChIInChI=1S/C12H20O5/c1-4-8-6-10(13)15-7-12(8)9(5-2)16-11(14-3)17-12/h8-9,11H,4-7H2,1-3H3
InChIKeyOLVDSNLRECCRCE-UHFFFAOYSA-N
XLogP1.45
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one?
The IUPAC name of 4,6-diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one (CID 71045023) is 4,6-diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one.
What is the SMILES notation for 4,6-diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one?
The canonical SMILES for 4,6-diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one is CCC1CC(=O)OCC12OC(OC)OC2CC.
What is the InChIKey of 4,6-diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one?
The InChIKey is OLVDSNLRECCRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-4-8-6-10(13)15-7-12(8)9(5-2)16-11(14-3)17-12/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 4,6-diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one?
4,6-diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one has a molecular weight of 244.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 71045023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).