(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

C21H40O3Si — CID 46243247

IUPAC(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
SMILESCC(C)[C@@]12C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2O
InChIInChI=1S/C21H40O3Si/c1-13(2)21-12-16(23-25(8,9)19(4,5)6)20(7,24-21)15-11-10-14(3)17(15)18(21)22/h13-18,22H,10-12H2,1-9H3/t14-,15-,16-,17-,18+,20+,21-/m1/s1
InChIKeyKBRGFQKJKPMXRS-GFYMANACSA-N
MW368.63 g/mol
LogP4.99
Rot. Bonds3

About (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

(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 (PubChem CID 46243247) has the molecular formula C21H40O3Si and a molecular weight of 368.63 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID46243247
Molecular FormulaC21H40O3Si
Molecular Weight368.63 g/mol
Exact Mass368.27
IUPAC Name(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
SMILESCC(C)[C@@]12C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2O
InChIInChI=1S/C21H40O3Si/c1-13(2)21-12-16(23-25(8,9)19(4,5)6)20(7,24-21)15-11-10-14(3)17(15)18(21)22/h13-18,22H,10-12H2,1-9H3/t14-,15-,16-,17-,18+,20+,21-/m1/s1
InChIKeyKBRGFQKJKPMXRS-GFYMANACSA-N
XLogP4.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.63
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(1S,2S,5R,6S,7S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 11402170
(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,2R,5R,6R,7S,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 53235938
[(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,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol
CID 46243138
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
[(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
(1R,2R,5R,6R,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 53235937
(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
(2R,5R,6R,7S,8R,10R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol
CID 134957301
(1S,2S,5S,6S,7R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-7-ol
CID 138983390

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)[C@@]12C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2O.
What is the InChIKey of (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?
The InChIKey is KBRGFQKJKPMXRS-GFYMANACSA-N. The full InChI is InChI=1S/C21H40O3Si/c1-13(2)21-12-16(23-25(8,9)19(4,5)6)20(7,24-21)15-11-10-14(3)17(15)18(21)22/h13-18,22H,10-12H2,1-9H3/t14-,15-,16-,17-,18+,20+,21-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 368.63 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 46243247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).