(6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one

C11H18O2 — CID 125454730

IUPAC(6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one
SMILESC[C@H]1CCC(=O)[C@]2(CCCCO2)C1
InChIInChI=1S/C11H18O2/c1-9-4-5-10(12)11(8-9)6-2-3-7-13-11/h9H,2-8H2,1H3/t9-,11-/m0/s1
InChIKeyVLOIPIRGLGBIDV-ONGXEEELSA-N
MW182.26 g/mol
LogP2.31
Rot. Bonds

About (6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one

(6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one (PubChem CID 125454730) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one.

Molecular Properties

Compound Name(6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one
PubChem CID125454730
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one
SMILESC[C@H]1CCC(=O)[C@]2(CCCCO2)C1
InChIInChI=1S/C11H18O2/c1-9-4-5-10(12)11(8-9)6-2-3-7-13-11/h9H,2-8H2,1H3/t9-,11-/m0/s1
InChIKeyVLOIPIRGLGBIDV-ONGXEEELSA-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

(6R)-1-oxaspiro[5.5]undecan-11-one
CID 125451232
(5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione
CID 125463637
1-oxaspiro[4.5]decan-6-one
CID 14686607
(5R)-1-oxaspiro[4.4]nonan-9-one
CID 10630574
(5S)-1-oxaspiro[4.4]nonan-9-one
CID 10606823
(7R,9S)-7,9-dimethyl-1,8-dioxaspiro[4.5]decan-4-one
CID 165459407
3-methyl-6-oxaspiro[4.5]decan-9-one
CID 64514323
(6S,7R,9S)-7,9-dimethyl-1-oxaspiro[5.5]undecan-11-one
CID 125452235
3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one
CID 116538544
1,10-dioxaspiro[4.5]decan-4-one
CID 130030580
(2S,4R)-2-methylspiro[2,3,5,6,7,8-hexahydro-1H-quinoline-4,2'-oxolane]
CID 135043246
(1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione
CID 101112121

Frequently Asked Questions

What is the IUPAC name of (6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one?
The IUPAC name of (6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one (CID 125454730) is (6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one.
What is the SMILES notation for (6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one?
The canonical SMILES for (6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one is C[C@H]1CCC(=O)[C@]2(CCCCO2)C1.
What is the InChIKey of (6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one?
The InChIKey is VLOIPIRGLGBIDV-ONGXEEELSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-4-5-10(12)11(8-9)6-2-3-7-13-11/h9H,2-8H2,1H3/t9-,11-/m0/s1.
What are the key properties of (6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one?
(6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-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 (6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one is sourced from PubChem (CID 125454730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).