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

C16H30O3Si — CID 10780448

IUPAC(5R,6S,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-oxaspiro[4.4]nonan-2-one
SMILESC[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]12CCC(=O)O2
InChIInChI=1S/C16H30O3Si/c1-12-7-8-13(16(12)10-9-14(17)19-16)11-18-20(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3/t12-,13-,16+/m0/s1
InChIKeyYCUCISPDBWVVKL-HEHGZKQESA-N
MW298.50 g/mol
LogP4.13
Rot. Bonds3

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

(5R,6S,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-oxaspiro[4.4]nonan-2-one (PubChem CID 10780448) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (5R,6S,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5R,6S,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-oxaspiro[4.4]nonan-2-one
PubChem CID10780448
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(5R,6S,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-oxaspiro[4.4]nonan-2-one
SMILESC[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]12CCC(=O)O2
InChIInChI=1S/C16H30O3Si/c1-12-7-8-13(16(12)10-9-14(17)19-16)11-18-20(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3/t12-,13-,16+/m0/s1
InChIKeyYCUCISPDBWVVKL-HEHGZKQESA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.13
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

(3aR,4S,5R,6aS)-4-[8-[tert-butyl(dimethyl)silyl]oxy-3-oxooctyl]-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 68010311
(3aR,4S,5R,6aS)-4-[3,8-bis[[tert-butyl(dimethyl)silyl]oxy]octyl]-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 68010313
(3aR,4S,5R,6aS)-4-[8-[tert-butyl(dimethyl)silyl]oxy-5,5,6,6,7,7-hexadeuterio-3-oxooctyl]-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 88552315
(5R,6R,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)-1-oxaspiro[4.4]nonan-2-one
CID 10567292
(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
(3S,3aR,6R,6aS)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one
CID 71499560

Frequently Asked Questions

What is the IUPAC name of (5R,6S,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of (5R,6S,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-oxaspiro[4.4]nonan-2-one (CID 10780448) is (5R,6S,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5R,6S,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for (5R,6S,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-oxaspiro[4.4]nonan-2-one is C[C@H]1CC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]12CCC(=O)O2.
What is the InChIKey of (5R,6S,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is YCUCISPDBWVVKL-HEHGZKQESA-N. The full InChI is InChI=1S/C16H30O3Si/c1-12-7-8-13(16(12)10-9-14(17)19-16)11-18-20(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3/t12-,13-,16+/m0/s1.
What are the key properties of (5R,6S,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-oxaspiro[4.4]nonan-2-one?
(5R,6S,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 298.50 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,9S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 10780448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).