(5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one

C11H18O2 — CID 134964196

IUPAC(5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one
SMILESCC1(C)CC[C@]2(CCCC2=O)OC1
InChIInChI=1S/C11H18O2/c1-10(2)6-7-11(13-8-10)5-3-4-9(11)12/h3-8H2,1-2H3/t11-/m0/s1
InChIKeyHHGPGADRXQCTIY-NSHDSACASA-N
MW182.26 g/mol
LogP2.31
Rot. Bonds

About (5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one

(5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one (PubChem CID 134964196) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one
PubChem CID134964196
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one
SMILESCC1(C)CC[C@]2(CCCC2=O)OC1
InChIInChI=1S/C11H18O2/c1-10(2)6-7-11(13-8-10)5-3-4-9(11)12/h3-8H2,1-2H3/t11-/m0/s1
InChIKeyHHGPGADRXQCTIY-NSHDSACASA-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

Analyze (5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-Oxaspiro[4.5]decan-1-one
CID 126970850
(5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one
CID 134843821
1-[(2R)-5-fluoro-2,5-dimethyloxan-2-yl]-2,2-dimethylpropan-1-one
CID 117828036
(5S,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one
CID 10655025
(5R,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one
CID 10655026
(5R,8S)-8-ethyl-6-oxaspiro[4.5]decan-4-one
CID 10679003
(5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one
CID 10773779
(5R)-6-oxaspiro[4.5]decan-4-one
CID 102296515
(5R)-7,7-dimethyl-6-oxaspiro[4.5]decan-4-one
CID 102296516
(5R)-7,7-diethyl-6-oxaspiro[4.5]decan-4-one
CID 102296517
1-[(1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-yl]ethanone
CID 134872792
(5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione
CID 134951818

Frequently Asked Questions

What is the IUPAC name of (5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one?
The IUPAC name of (5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one (CID 134964196) is (5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one.
What is the SMILES notation for (5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one?
The canonical SMILES for (5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one is CC1(C)CC[C@]2(CCCC2=O)OC1.
What is the InChIKey of (5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one?
The InChIKey is HHGPGADRXQCTIY-NSHDSACASA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)6-7-11(13-8-10)5-3-4-9(11)12/h3-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one?
(5S)-8,8-dimethyl-6-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 (5S)-8,8-dimethyl-6-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 134964196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).