(1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one

C25H46O4Si2 — CID 11027024

IUPAC(1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]2(C)C[C@@H]3C=CC(=O)[C@@]12O3
InChIInChI=1S/C25H46O4Si2/c1-22(2,3)30(8,9)27-17-18-12-15-21(29-31(10,11)23(4,5)6)24(7)16-19-13-14-20(26)25(18,24)28-19/h13-14,18-19,21H,12,15-17H2,1-11H3/t18-,19+,21+,24-,25+/m1/s1
InChIKeyHUXBHUHMMWMJQL-KHJRNCMUSA-N
MW466.81 g/mol
LogP6.48
Rot. Bonds5

About (1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one

(1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one (PubChem CID 11027024) has the molecular formula C25H46O4Si2 and a molecular weight of 466.81 g/mol. Its IUPAC name is (1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one.

Molecular Properties

Compound Name(1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one
PubChem CID11027024
Molecular FormulaC25H46O4Si2
Molecular Weight466.81 g/mol
Exact Mass466.29
IUPAC Name(1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]2(C)C[C@@H]3C=CC(=O)[C@@]12O3
InChIInChI=1S/C25H46O4Si2/c1-22(2,3)30(8,9)27-17-18-12-15-21(29-31(10,11)23(4,5)6)24(7)16-19-13-14-20(26)25(18,24)28-19/h13-14,18-19,21H,12,15-17H2,1-11H3/t18-,19+,21+,24-,25+/m1/s1
InChIKeyHUXBHUHMMWMJQL-KHJRNCMUSA-N
XLogP6.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.81
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one with MolForge

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Related Compounds

(1S,4S,4aR,9aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,9a-dimethyl-4a-trimethylsilyloxy-1,2,3,4,5,6,8,9-octahydrobenzo[7]annulen-7-one
CID 177385706
(1S,2R,5S,6R,8S,10S)-5-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethyl-2-(trityloxymethyl)-12-oxatricyclo[6.3.1.01,6]dodecan-11-one
CID 101084149
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one
CID 91799042
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 11402212
[(3aR,4R,7aS)-1,2,3a,7,7,7a-hexamethyl-3,4,5,6-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 15459977
(1R,6S,7R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undeca-4,8-dien-3-one
CID 11024455
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentan-1-ol
CID 75230273
tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate
CID 66622874
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 134890514
tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane
CID 102406518
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohex-2-en-1-one
CID 101372674
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one
CID 101180860

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one?
The IUPAC name of (1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one (CID 11027024) is (1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one.
What is the SMILES notation for (1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one?
The canonical SMILES for (1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one is CC(C)(C)[Si](C)(C)OC[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]2(C)C[C@@H]3C=CC(=O)[C@@]12O3.
What is the InChIKey of (1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one?
The InChIKey is HUXBHUHMMWMJQL-KHJRNCMUSA-N. The full InChI is InChI=1S/C25H46O4Si2/c1-22(2,3)30(8,9)27-17-18-12-15-21(29-31(10,11)23(4,5)6)24(7)16-19-13-14-20(26)25(18,24)28-19/h13-14,18-19,21H,12,15-17H2,1-11H3/t18-,19+,21+,24-,25+/m1/s1.
What are the key properties of (1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one?
(1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one has a molecular weight of 466.81 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,6R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-12-oxatricyclo[6.3.1.01,6]dodec-9-en-11-one is sourced from PubChem (CID 11027024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).