6-hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one

C10H16O3 — CID 163982709

IUPAC6-hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one
SMILESCC1CC2(CCCCC2O)OC1=O
InChIInChI=1S/C10H16O3/c1-7-6-10(13-9(7)12)5-3-2-4-8(10)11/h7-8,11H,2-6H2,1H3
InChIKeySZUJMAFLEUTLHI-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.24
Rot. Bonds

About 6-hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one

6-hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one (PubChem CID 163982709) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 6-hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name6-hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one
PubChem CID163982709
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name6-hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one
SMILESCC1CC2(CCCCC2O)OC1=O
InChIInChI=1S/C10H16O3/c1-7-6-10(13-9(7)12)5-3-2-4-8(10)11/h7-8,11H,2-6H2,1H3
InChIKeySZUJMAFLEUTLHI-UHFFFAOYSA-N
XLogP1.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 6-hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one (CID 163982709) is 6-hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 6-hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 6-hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one is CC1CC2(CCCCC2O)OC1=O.
What is the InChIKey of 6-hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one?
The InChIKey is SZUJMAFLEUTLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7-6-10(13-9(7)12)5-3-2-4-8(10)11/h7-8,11H,2-6H2,1H3.
What are the key properties of 6-hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one?
6-hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one has a molecular weight of 184.23 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methyl-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 163982709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).