(4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one

C14H26O4Si — CID 11335167

IUPAC(4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@]12OC(=O)C[C@@H]2O
InChIInChI=1S/C14H26O4Si/c1-13(2,3)19(4,5)18-11-7-6-8-14(11)10(15)9-12(16)17-14/h10-11,15H,6-9H2,1-5H3/t10-,11+,14-/m0/s1
InChIKeyPMQNJEKEPWINQU-WDMOLILDSA-N
MW286.44 g/mol
LogP2.61
Rot. Bonds2

About (4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one

(4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one (PubChem CID 11335167) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is (4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one
PubChem CID11335167
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name(4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@]12OC(=O)C[C@@H]2O
InChIInChI=1S/C14H26O4Si/c1-13(2,3)19(4,5)18-11-7-6-8-14(11)10(15)9-12(16)17-14/h10-11,15H,6-9H2,1-5H3/t10-,11+,14-/m0/s1
InChIKeyPMQNJEKEPWINQU-WDMOLILDSA-N
XLogP2.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.61
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

[(3R,4S,5R)-3-hydroxy-8-oxo-1,7-dioxaspiro[4.4]nonan-4-yl] octanoate
CID 10017667
(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one
CID 10707198
ethyl (1S,2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate
CID 102392356
trans-ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-2-methylcyclopentane-1-carboxylate
CID 134832405
methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate
CID 139038790
(2R)-2-[(3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]-2-methoxyacetic acid
CID 57792753
(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1,7-dioxaspiro[4.4]nonan-8-one
CID 10493613
(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one
CID 10540000
(3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1,7-dioxaspiro[4.4]nonan-8-one
CID 10589459
(1R,4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2-oxabicyclo[2.2.1]heptan-3-one
CID 10777624
(1R,4S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2-oxabicyclo[2.2.1]heptan-3-one
CID 10858168
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-hydroxy-2-oxopropyl]-3,5-dimethyloxolan-2-one
CID 10990728

Frequently Asked Questions

What is the IUPAC name of (4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of (4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one (CID 11335167) is (4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for (4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for (4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@]12OC(=O)C[C@@H]2O.
What is the InChIKey of (4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is PMQNJEKEPWINQU-WDMOLILDSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-13(2,3)19(4,5)18-11-7-6-8-14(11)10(15)9-12(16)17-14/h10-11,15H,6-9H2,1-5H3/t10-,11+,14-/m0/s1.
What are the key properties of (4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one?
(4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 286.44 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 11335167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).