(5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one

C13H22O2 — CID 102296517

IUPAC(5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one
SMILESCCC1(CC)CCC[C@]2(CCCC2=O)O1
InChIInChI=1S/C13H22O2/c1-3-12(4-2)8-6-10-13(15-12)9-5-7-11(13)14/h3-10H2,1-2H3/t13-/m0/s1
InChIKeyJUSZIRMLLHNCOY-ZDUSSCGKSA-N
MW210.32 g/mol
LogP3.24
Rot. Bonds2

About (5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one

(5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one (PubChem CID 102296517) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one
PubChem CID102296517
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one
SMILESCCC1(CC)CCC[C@]2(CCCC2=O)O1
InChIInChI=1S/C13H22O2/c1-3-12(4-2)8-6-10-13(15-12)9-5-7-11(13)14/h3-10H2,1-2H3/t13-/m0/s1
InChIKeyJUSZIRMLLHNCOY-ZDUSSCGKSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one?
The IUPAC name of (5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one (CID 102296517) is (5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one.
What is the SMILES notation for (5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one?
The canonical SMILES for (5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one is CCC1(CC)CCC[C@]2(CCCC2=O)O1.
What is the InChIKey of (5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one?
The InChIKey is JUSZIRMLLHNCOY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-12(4-2)8-6-10-13(15-12)9-5-7-11(13)14/h3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one?
(5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one has a molecular weight of 210.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 102296517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).