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

C14H26O3Si — CID 10707198

IUPAC(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12CCC(=O)O2
InChIInChI=1S/C14H26O3Si/c1-13(2,3)18(4,5)17-11-7-6-9-14(11)10-8-12(15)16-14/h11H,6-10H2,1-5H3/t11-,14+/m1/s1
InChIKeyGUDITXHONUOLMK-RISCZKNCSA-N
MW270.44 g/mol
LogP3.64
Rot. Bonds2

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

(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one (PubChem CID 10707198) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one
PubChem CID10707198
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12CCC(=O)O2
InChIInChI=1S/C14H26O3Si/c1-13(2,3)18(4,5)17-11-7-6-9-14(11)10-8-12(15)16-14/h11H,6-10H2,1-5H3/t11-,14+/m1/s1
InChIKeyGUDITXHONUOLMK-RISCZKNCSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 58570448
(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 58570828
(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one
CID 10540000
(3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10846321
(3S,3aS,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10912596
(4S,5R,9S)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[4.4]nonan-2-one
CID 11258106
(4S,5R,9R)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[4.4]nonan-2-one
CID 11327064
(4S,5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one
CID 11335167
(4S,5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-1-oxaspiro[4.4]nonan-2-one
CID 11460374
(1S,5S,11S)-7,7,9,9-tetra(propan-2-yl)-2,6,8,10-tetraoxa-7,9-disilatricyclo[9.3.0.01,5]tetradecan-3-one
CID 11589715
(4S,5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-triethylsilyloxy-1-oxaspiro[4.4]nonan-2-one
CID 11668479
(4S,6S)-6-{[tert-butyl(dimethyl)silyl]oxy}-4-hydroxy-1-oxaspiro[4.4]nonan-2-one
CID 12158508

Frequently Asked Questions

What is the IUPAC name of (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one (CID 10707198) is (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@]12CCC(=O)O2.
What is the InChIKey of (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is GUDITXHONUOLMK-RISCZKNCSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-13(2,3)18(4,5)17-11-7-6-9-14(11)10-8-12(15)16-14/h11H,6-10H2,1-5H3/t11-,14+/m1/s1.
What are the key properties of (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one?
(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 270.44 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 10707198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).