(1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one

C18H36O4Si2 — CID 10643056

IUPAC(1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2C[C@@H]1C(=O)O2
InChIInChI=1S/C18H36O4Si2/c1-9-24(10-2,11-3)22-15-13-12-14(20-17(13)19)16(15)21-23(7,8)18(4,5)6/h13-16H,9-12H2,1-8H3/t13-,14+,15-,16-/m0/s1
InChIKeyKBZBVIRIPRJKAC-FZKCQIBNSA-N
MW372.65 g/mol
LogP4.71
Rot. Bonds7

About (1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one

(1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one (PubChem CID 10643056) has the molecular formula C18H36O4Si2 and a molecular weight of 372.65 g/mol. Its IUPAC name is (1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name(1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one
PubChem CID10643056
Molecular FormulaC18H36O4Si2
Molecular Weight372.65 g/mol
Exact Mass372.22
IUPAC Name(1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2C[C@@H]1C(=O)O2
InChIInChI=1S/C18H36O4Si2/c1-9-24(10-2,11-3)22-15-13-12-14(20-17(13)19)16(15)21-23(7,8)18(4,5)6/h13-16H,9-12H2,1-8H3/t13-,14+,15-,16-/m0/s1
InChIKeyKBZBVIRIPRJKAC-FZKCQIBNSA-N
XLogP4.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4S,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-oxabicyclo[2.2.1]heptan-3-one
CID 10981587
(5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one
CID 135023102
(1R,4S,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-oxabicyclo[2.2.1]heptan-3-one
CID 10970753
(3aR,5R,6R,6aS)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10430266
(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyloxy-1,7-dioxaspiro[4.4]nonan-8-one
CID 10546484
(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
(1S,4R,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-oxabicyclo[2.2.1]heptan-3-one
CID 10883225
(1S,4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-oxabicyclo[2.2.1]heptan-3-one
CID 11122275
(3aR,4S,5R,6aR)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11176665
(1R,4S,5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 11222920
(4S,5R,9S)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxaspiro[4.4]nonan-2-one
CID 11258106

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one?
The IUPAC name of (1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one (CID 10643056) is (1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for (1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for (1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one is CC[Si](CC)(CC)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2C[C@@H]1C(=O)O2.
What is the InChIKey of (1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one?
The InChIKey is KBZBVIRIPRJKAC-FZKCQIBNSA-N. The full InChI is InChI=1S/C18H36O4Si2/c1-9-24(10-2,11-3)22-15-13-12-14(20-17(13)19)16(15)21-23(7,8)18(4,5)6/h13-16H,9-12H2,1-8H3/t13-,14+,15-,16-/m0/s1.
What are the key properties of (1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one?
(1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one has a molecular weight of 372.65 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-2-oxabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 10643056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).