(4R,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one

C19H38O4Si2 — CID 58673011

IUPAC(4R,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C12CO2
InChIInChI=1S/C19H38O4Si2/c1-17(2,3)24(7,8)22-15-11-14(20)12-16(19(15)13-21-19)23-25(9,10)18(4,5)6/h15-16H,11-13H2,1-10H3/t15-,16+,19?
InChIKeyYBOIMEUCJKYODF-MCPYQZEQSA-N
MW386.68 g/mol
LogP4.90
Rot. Bonds4

About (4R,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one

(4R,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one (PubChem CID 58673011) has the molecular formula C19H38O4Si2 and a molecular weight of 386.68 g/mol. Its IUPAC name is (4R,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one.

Molecular Properties

Compound Name(4R,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one
PubChem CID58673011
Molecular FormulaC19H38O4Si2
Molecular Weight386.68 g/mol
Exact Mass386.23
IUPAC Name(4R,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C12CO2
InChIInChI=1S/C19H38O4Si2/c1-17(2,3)24(7,8)22-15-11-14(20)12-16(19(15)13-21-19)23-25(9,10)18(4,5)6/h15-16H,11-13H2,1-10H3/t15-,16+,19?
InChIKeyYBOIMEUCJKYODF-MCPYQZEQSA-N
XLogP4.90
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.68
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one
CID 58673049
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one
CID 69221980
3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
CID 69222324
(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one
CID 87739369
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methoxycyclohexan-1-one
CID 177392084

Frequently Asked Questions

What is the IUPAC name of (4R,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one?
The IUPAC name of (4R,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one (CID 58673011) is (4R,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one.
What is the SMILES notation for (4R,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one?
The canonical SMILES for (4R,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one is CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C12CO2.
What is the InChIKey of (4R,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one?
The InChIKey is YBOIMEUCJKYODF-MCPYQZEQSA-N. The full InChI is InChI=1S/C19H38O4Si2/c1-17(2,3)24(7,8)22-15-11-14(20)12-16(19(15)13-21-19)23-25(9,10)18(4,5)6/h15-16H,11-13H2,1-10H3/t15-,16+,19?.
What are the key properties of (4R,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one?
(4R,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one has a molecular weight of 386.68 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[2.5]octan-6-one is sourced from PubChem (CID 58673011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).