(5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one

C16H30O4Si — CID 10567292

IUPAC(5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@H](CO)[C@]12CCC(=O)O2
InChIInChI=1S/C16H30O4Si/c1-15(2,3)21(4,5)19-11-13-7-6-12(10-17)16(13)9-8-14(18)20-16/h12-13,17H,6-11H2,1-5H3/t12-,13+,16-/m1/s1
InChIKeyRVIQYSHPIIOMHK-DVOMOZLQSA-N
MW314.50 g/mol
LogP3.10
Rot. Bonds4

About (5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one

(5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one (PubChem CID 10567292) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is (5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one
PubChem CID10567292
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name(5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@H](CO)[C@]12CCC(=O)O2
InChIInChI=1S/C16H30O4Si/c1-15(2,3)21(4,5)19-11-13-7-6-12(10-17)16(13)9-8-14(18)20-16/h12-13,17H,6-11H2,1-5H3/t12-,13+,16-/m1/s1
InChIKeyRVIQYSHPIIOMHK-DVOMOZLQSA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one
CID 135009534
(3aR,5R,6aS)-4-[8-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctyl]-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 68010299
(3aR,4S,5R,6aS)-4-[8-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctyl]-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 68010312
methyl 7-[(1S,2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-methylcyclopentyl]heptanoate
CID 68011623
methyl 7-[(1S,2S,3S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-methylcyclopentyl]heptanoate
CID 68643469
methyl 7-[(1S,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-methylcyclopentyl]heptanoate
CID 68643471
ethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate
CID 10336779
(5S,6S,9S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-(iodomethyl)-1-oxaspiro[4.4]nonan-2-one
CID 10574328
[(5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate
CID 10594466
[(5S,6S,9R)-6-(hydroxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-9-yl]methyl acetate
CID 10705320
(6S,9R)-6,9-bis(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one
CID 10750526
[(5R,6R,9S)-6-(hydroxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-9-yl]methyl acetate
CID 10752658

Frequently Asked Questions

What is the IUPAC name of (5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of (5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one (CID 10567292) is (5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for (5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@H](CO)[C@]12CCC(=O)O2.
What is the InChIKey of (5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is RVIQYSHPIIOMHK-DVOMOZLQSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-15(2,3)21(4,5)19-11-13-7-6-12(10-17)16(13)9-8-14(18)20-16/h12-13,17H,6-11H2,1-5H3/t12-,13+,16-/m1/s1.
What are the key properties of (5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one?
(5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 314.50 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 10567292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).