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

C27H54O4Si2 — CID 46900164

IUPAC2-[(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
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)O)C[C@H]2O[Si](CC)(CC)CC
InChIInChI=1S/C27H54O4Si2/c1-11-32(12-2,13-3)29-22-19-27(25(8,9)28)24(30-33(14-4,15-5)16-6)23-20(7)17-18-21(23)26(22,10)31-27/h20-24,28H,11-19H2,1-10H3/t20-,21-,22-,23-,24-,26-,27-/m1/s1
InChIKeySSSLMZFGPVPUCX-CJDAWWQKSA-N
MW498.90 g/mol
LogP7.13
Rot. Bonds11

About 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

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 (PubChem CID 46900164) has the molecular formula C27H54O4Si2 and a molecular weight of 498.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID46900164
Molecular FormulaC27H54O4Si2
Molecular Weight498.90 g/mol
Exact Mass498.36
IUPAC Name2-[(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
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)O)C[C@H]2O[Si](CC)(CC)CC
InChIInChI=1S/C27H54O4Si2/c1-11-32(12-2,13-3)29-22-19-27(25(8,9)28)24(30-33(14-4,15-5)16-6)23-20(7)17-18-21(23)26(22,10)31-27/h20-24,28H,11-19H2,1-10H3/t20-,21-,22-,23-,24-,26-,27-/m1/s1
InChIKeySSSLMZFGPVPUCX-CJDAWWQKSA-N
XLogP7.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.90
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

(1S,2S,5S,7S,8R,9R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-9-propan-2-yl-6,12-dioxatetracyclo[7.2.1.02,7.05,7]dodecan-8-ol
CID 46243246
[(1R,2S,5S,6S,7R,8S,10S)-7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 44603807
(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
[(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
(7-Hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 75079183
[(2S,5S,6S,7R,8S,10S)-7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 134942769
(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
Tert-butyl-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7-tetradeuterio-3-deuteriooxy-8-oxabicyclo[3.2.1]octan-1-yl]methoxy]-dimethylsilane
CID 172628427
1,5-Bis[[tert-butyl(dimethyl)silyl]oxymethyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 172628721

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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)O)C[C@H]2O[Si](CC)(CC)CC.
What is the InChIKey of 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?
The InChIKey is SSSLMZFGPVPUCX-CJDAWWQKSA-N. The full InChI is InChI=1S/C27H54O4Si2/c1-11-32(12-2,13-3)29-22-19-27(25(8,9)28)24(30-33(14-4,15-5)16-6)23-20(7)17-18-21(23)26(22,10)31-27/h20-24,28H,11-19H2,1-10H3/t20-,21-,22-,23-,24-,26-,27-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 498.90 g/mol, XLogP of 7.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46900164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).