(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one

C16H32O5Si2 — CID 10546484

IUPAC(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)CO[C@@]12COC(=O)C2
InChIInChI=1S/C16H32O5Si2/c1-15(2,3)23(7,8)21-14-12(20-22(4,5)6)10-19-16(14)9-13(17)18-11-16/h12,14H,9-11H2,1-8H3/t12-,14+,16+/m1/s1
InChIKeyGMSFBUYHNPOCFH-INWMFGNUSA-N
MW360.60 g/mol
LogP3.31
Rot. Bonds4

About (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one

(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one (PubChem CID 10546484) has the molecular formula C16H32O5Si2 and a molecular weight of 360.60 g/mol. Its IUPAC name is (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one.

Molecular Properties

Compound Name(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one
PubChem CID10546484
Molecular FormulaC16H32O5Si2
Molecular Weight360.60 g/mol
Exact Mass360.18
IUPAC Name(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)CO[C@@]12COC(=O)C2
InChIInChI=1S/C16H32O5Si2/c1-15(2,3)23(7,8)21-14-12(20-22(4,5)6)10-19-16(14)9-13(17)18-11-16/h12,14H,9-11H2,1-8H3/t12-,14+,16+/m1/s1
InChIKeyGMSFBUYHNPOCFH-INWMFGNUSA-N
XLogP3.31
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.60
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5S)-3,4-bis(phenylmethoxy)-1,7-dioxaspiro[4.4]nonan-8-one
CID 10736828
(4R,7S,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5-dihydroxy-2,6-dioxo-1-phenylmethoxy-7,9-bis(trimethylsilyloxy)-1-azaspiro[3.5]nonane-7-carbonitrile
CID 69241802
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one;3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one;tetramethylsilane
CID 91070116
1-[(2R,3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-3a-hydroxy-5-oxo-3,4,7,7a-tetrahydro-2H-furo[2,3-c]pyran-2-yl]pyrimidine-2,4-dione
CID 10668565
(5S,8R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-prop-1-en-2-yl-9-trimethylsilyloxy-2-oxaspiro[4.5]decane-1,6-dione
CID 177495281
(4R,5S,6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one
CID 69241668
4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 19385088
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 91867100
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 69230457
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
[(5R,7R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-5-(3-nitro-4-pyridinyl)-4-oxaspiro[2.5]octan-7-yl] acetate
CID 86682539
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one
CID 11267379

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one?
The IUPAC name of (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one (CID 10546484) is (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one.
What is the SMILES notation for (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one?
The canonical SMILES for (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one is CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)CO[C@@]12COC(=O)C2.
What is the InChIKey of (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one?
The InChIKey is GMSFBUYHNPOCFH-INWMFGNUSA-N. The full InChI is InChI=1S/C16H32O5Si2/c1-15(2,3)23(7,8)21-14-12(20-22(4,5)6)10-19-16(14)9-13(17)18-11-16/h12,14H,9-11H2,1-8H3/t12-,14+,16+/m1/s1.
What are the key properties of (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one?
(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one has a molecular weight of 360.60 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one is sourced from PubChem (CID 10546484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).