1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one

C11H18O4 — CID 10910892

IUPAC1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one
SMILESCC(=O)C[C@H]1OCC[C@]12CCOC(C)O2
InChIInChI=1S/C11H18O4/c1-8(12)7-10-11(4-6-14-10)3-5-13-9(2)15-11/h9-10H,3-7H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyLEKUFNMWWDCFHP-FHZGLPGMSA-N
MW214.26 g/mol
LogP1.28
Rot. Bonds2

About 1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one

1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one (PubChem CID 10910892) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one
PubChem CID10910892
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one
SMILESCC(=O)C[C@H]1OCC[C@]12CCOC(C)O2
InChIInChI=1S/C11H18O4/c1-8(12)7-10-11(4-6-14-10)3-5-13-9(2)15-11/h9-10H,3-7H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyLEKUFNMWWDCFHP-FHZGLPGMSA-N
XLogP1.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one?
The IUPAC name of 1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one (CID 10910892) is 1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one.
What is the SMILES notation for 1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one?
The canonical SMILES for 1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one is CC(=O)C[C@H]1OCC[C@]12CCOC(C)O2.
What is the InChIKey of 1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one?
The InChIKey is LEKUFNMWWDCFHP-FHZGLPGMSA-N. The full InChI is InChI=1S/C11H18O4/c1-8(12)7-10-11(4-6-14-10)3-5-13-9(2)15-11/h9-10H,3-7H2,1-2H3/t9?,10-,11-/m1/s1.
What are the key properties of 1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one?
1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one has a molecular weight of 214.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one is sourced from PubChem (CID 10910892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).