(2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate

C15H24O4 — CID 58819239

IUPAC(2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CC2(CCCCC2)OC1=O
InChIInChI=1S/C15H24O4/c1-4-14(2,3)13(17)18-11-10-15(19-12(11)16)8-6-5-7-9-15/h11H,4-10H2,1-3H3
InChIKeyQNHUMZARRIRSDS-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.98
Rot. Bonds3

About (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate

(2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate (PubChem CID 58819239) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate
PubChem CID58819239
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CC2(CCCCC2)OC1=O
InChIInChI=1S/C15H24O4/c1-4-14(2,3)13(17)18-11-10-15(19-12(11)16)8-6-5-7-9-15/h11H,4-10H2,1-3H3
InChIKeyQNHUMZARRIRSDS-UHFFFAOYSA-N
XLogP2.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate?
The IUPAC name of (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate (CID 58819239) is (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate.
What is the SMILES notation for (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate?
The canonical SMILES for (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1CC2(CCCCC2)OC1=O.
What is the InChIKey of (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate?
The InChIKey is QNHUMZARRIRSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-4-14(2,3)13(17)18-11-10-15(19-12(11)16)8-6-5-7-9-15/h11H,4-10H2,1-3H3.
What are the key properties of (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate?
(2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate has a molecular weight of 268.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 58819239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).