2,6-dimethyl-1-oxaspiro[4.5]decan-4-one

C11H18O2 — CID 24974113

IUPAC2,6-dimethyl-1-oxaspiro[4.5]decan-4-one
SMILESCC1CC(=O)C2(CCCCC2C)O1
InChIInChI=1S/C11H18O2/c1-8-5-3-4-6-11(8)10(12)7-9(2)13-11/h8-9H,3-7H2,1-2H3
InChIKeyZPNDPDILCHWVML-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.31
Rot. Bonds

About 2,6-dimethyl-1-oxaspiro[4.5]decan-4-one

2,6-dimethyl-1-oxaspiro[4.5]decan-4-one (PubChem CID 24974113) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2,6-dimethyl-1-oxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name2,6-dimethyl-1-oxaspiro[4.5]decan-4-one
PubChem CID24974113
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2,6-dimethyl-1-oxaspiro[4.5]decan-4-one
SMILESCC1CC(=O)C2(CCCCC2C)O1
InChIInChI=1S/C11H18O2/c1-8-5-3-4-6-11(8)10(12)7-9(2)13-11/h8-9H,3-7H2,1-2H3
InChIKeyZPNDPDILCHWVML-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Oxaspiro[4.5]decan-7-one, 2,6,10,10-tetramethyl-
CID 103388
5-Cyclohexyloxolan-3-one
CID 10654673
(5R,6S)-6-methyl-1-oxaspiro[4.5]decan-8-one
CID 13511805
(5R,6R)-6-methyl-1-oxaspiro[4.5]decan-8-one
CID 13511806
(1R,5S)-5-methyl-8-oxabicyclo[3.2.1]octan-6-one
CID 134872680
(1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one
CID 134931511
1-[(2R,3R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-yl]ethanone
CID 164680565
1-Oxaspiro[4.4]nonan-4-one, 2-isopropyl-
CID 550664
1-Oxaspiro[4.5]decan-4-one, 6-isopropyl-2,10-dimethyl-
CID 574556
6-Methyl-5-(3-methylbutyl)-7-oxabicyclo[4.1.0]heptan-2-one
CID 10012919
6-Methyl-5-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptan-2-one
CID 10035269
(2S)-2-pentyl-1-oxaspiro[4.5]decan-4-one
CID 10398728

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-oxaspiro[4.5]decan-4-one?
The IUPAC name of 2,6-dimethyl-1-oxaspiro[4.5]decan-4-one (CID 24974113) is 2,6-dimethyl-1-oxaspiro[4.5]decan-4-one.
What is the SMILES notation for 2,6-dimethyl-1-oxaspiro[4.5]decan-4-one?
The canonical SMILES for 2,6-dimethyl-1-oxaspiro[4.5]decan-4-one is CC1CC(=O)C2(CCCCC2C)O1.
What is the InChIKey of 2,6-dimethyl-1-oxaspiro[4.5]decan-4-one?
The InChIKey is ZPNDPDILCHWVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-5-3-4-6-11(8)10(12)7-9(2)13-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-oxaspiro[4.5]decan-4-one?
2,6-dimethyl-1-oxaspiro[4.5]decan-4-one has a molecular weight of 182.26 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 24974113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).