(5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one

C16H30O4Si — CID 135009534

IUPAC(5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC[C@@]2(CCOC2=O)[C@]1(C)O
InChIInChI=1S/C16H30O4Si/c1-14(2,3)21(5,6)20-11-12-7-8-16(15(12,4)18)9-10-19-13(16)17/h12,18H,7-11H2,1-6H3/t12?,15-,16+/m1/s1
InChIKeyZNNNTFOUUDFVMH-AGIABQAESA-N
MW314.50 g/mol
LogP3.10
Rot. Bonds3

About (5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one

(5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one (PubChem CID 135009534) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is (5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one
PubChem CID135009534
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name(5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC[C@@]2(CCOC2=O)[C@]1(C)O
InChIInChI=1S/C16H30O4Si/c1-14(2,3)21(5,6)20-11-12-7-8-16(15(12,4)18)9-10-19-13(16)17/h12,18H,7-11H2,1-6H3/t12?,15-,16+/m1/s1
InChIKeyZNNNTFOUUDFVMH-AGIABQAESA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

methyl (3aR,6S,6aS)-2-(hydroxymethyl)-6a-(iodomethyl)-6-[tri(propan-2-yl)silyloxymethyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
CID 154707327
(5S,8S,9S)-9-hydroxy-8-(2-hydroxy-2-methylpropyl)-9-methyl-2-oxaspiro[4.4]nonan-1-one
CID 164683870
ethyl 2-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate
CID 10336779
(5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one
CID 10567292
ethyl 2-[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-hydroxy-3-methylcyclopentyl]acetate
CID 10575965
[(5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate
CID 10594466
trans-ethyl (1S,2R)-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2-methylcyclopentane-1-carboxylate
CID 11791755
(5R,8S,9S)-9-hydroxy-8-(2-hydroxy-2-methylpropyl)-9-methyl-2-oxaspiro[4.4]nonan-1-one
CID 101598247
(5S,8R,9R)-9-hydroxy-8-(2-hydroxy-2-methylpropyl)-9-methyl-2-oxaspiro[4.4]nonan-1-one
CID 101598248

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one?
The IUPAC name of (5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one (CID 135009534) is (5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one is CC(C)(C)[Si](C)(C)OCC1CC[C@@]2(CCOC2=O)[C@]1(C)O.
What is the InChIKey of (5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one?
The InChIKey is ZNNNTFOUUDFVMH-AGIABQAESA-N. The full InChI is InChI=1S/C16H30O4Si/c1-14(2,3)21(5,6)20-11-12-7-8-16(15(12,4)18)9-10-19-13(16)17/h12,18H,7-11H2,1-6H3/t12?,15-,16+/m1/s1.
What are the key properties of (5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one?
(5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one has a molecular weight of 314.50 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-8-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-9-methyl-2-oxaspiro[4.4]nonan-1-one is sourced from PubChem (CID 135009534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).