[(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane

C27H54O3Si2 — CID 46900165

IUPAC[(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H]2[C@H](C)CC[C@H]2[C@@]2(C)O[C@]1(C(C)C)C[C@H]2O[Si](CC)(CC)CC
InChIInChI=1S/C27H54O3Si2/c1-11-31(12-2,13-3)28-23-19-27(20(7)8)25(29-32(14-4,15-5)16-6)24-21(9)17-18-22(24)26(23,10)30-27/h20-25H,11-19H2,1-10H3/t21-,22-,23-,24-,25-,26-,27+/m1/s1
InChIKeyJTTJCLLIRRGMRJ-LHQKFFONSA-N
MW482.90 g/mol
LogP8.02
Rot. Bonds11

About [(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane

[(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane (PubChem CID 46900165) has the molecular formula C27H54O3Si2 and a molecular weight of 482.90 g/mol. Its IUPAC name is [(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane
PubChem CID46900165
Molecular FormulaC27H54O3Si2
Molecular Weight482.90 g/mol
Exact Mass482.36
IUPAC Name[(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H]2[C@H](C)CC[C@H]2[C@@]2(C)O[C@]1(C(C)C)C[C@H]2O[Si](CC)(CC)CC
InChIInChI=1S/C27H54O3Si2/c1-11-31(12-2,13-3)28-23-19-27(20(7)8)25(29-32(14-4,15-5)16-6)24-21(9)17-18-22(24)26(23,10)30-27/h20-25H,11-19H2,1-10H3/t21-,22-,23-,24-,25-,26-,27+/m1/s1
InChIKeyJTTJCLLIRRGMRJ-LHQKFFONSA-N
XLogP8.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.90
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane with MolForge

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Related Compounds

(1S,2R,5R,6R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 46243247
2-[(1R,2R,5R,6R,7R,8R,10R)-1,5-dimethyl-7,10-bis(triethylsilyloxy)-11-oxatricyclo[6.2.1.02,6]undecan-8-yl]propan-2-ol
CID 46900164
(5S,6S,7R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 67453662
10-[Tert-butyl(dimethyl)silyl]oxy-1,5,8-trimethyl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 89981223
(2R,5R,6R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 89981298
(1S,2R,6R,7S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 89982431
[(4aR,5S,7S,7aR)-2,2,7-trimethyl-3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-5-yl]methoxy-tert-butyl-dimethylsilane
CID 173648663
tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-[(7S)-7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2-yl]butan-2-yl]oxy-dimethylsilane
CID 173783957
(1S,2R,5S,6S,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 46243248
(1S,2S,5R,6S,7R,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 53475901
(1S,2R,5R,6R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-1-methyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 168346278

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane?
The IUPAC name of [(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane (CID 46900165) is [(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane.
What is the SMILES notation for [(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane?
The canonical SMILES for [(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@@H]1[C@@H]2[C@H](C)CC[C@H]2[C@@]2(C)O[C@]1(C(C)C)C[C@H]2O[Si](CC)(CC)CC.
What is the InChIKey of [(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane?
The InChIKey is JTTJCLLIRRGMRJ-LHQKFFONSA-N. The full InChI is InChI=1S/C27H54O3Si2/c1-11-31(12-2,13-3)28-23-19-27(20(7)8)25(29-32(14-4,15-5)16-6)24-21(9)17-18-22(24)26(23,10)30-27/h20-25H,11-19H2,1-10H3/t21-,22-,23-,24-,25-,26-,27+/m1/s1.
What are the key properties of [(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane?
[(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane has a molecular weight of 482.90 g/mol, XLogP of 8.02, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5R,6R,7R,8S,10R)-1,5-dimethyl-8-propan-2-yl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecan-10-yl]oxy-triethylsilane is sourced from PubChem (CID 46900165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).