(1R,2S,5R,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one

C15H26O3Si — CID 139095250

IUPAC(1R,2S,5R,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@@H]2CC(=O)[C@H]3[C@@H]2[C@@]3(C)[C@@H]1O
InChIInChI=1S/C15H26O3Si/c1-14(2,3)19(5,6)18-12-8-7-9(16)11-10(8)15(11,4)13(12)17/h8,10-13,17H,7H2,1-6H3/t8-,10-,11+,12+,13-,15-/m1/s1
InChIKeyRXAXYUDKRLGSIN-LTIBUCPLSA-N
MW282.46 g/mol
LogP2.59
Rot. Bonds2

About (1R,2S,5R,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one

(1R,2S,5R,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one (PubChem CID 139095250) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is (1R,2S,5R,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one.

Molecular Properties

Compound Name(1R,2S,5R,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one
PubChem CID139095250
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name(1R,2S,5R,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@@H]2CC(=O)[C@H]3[C@@H]2[C@@]3(C)[C@@H]1O
InChIInChI=1S/C15H26O3Si/c1-14(2,3)19(5,6)18-12-8-7-9(16)11-10(8)15(11,4)13(12)17/h8,10-13,17H,7H2,1-6H3/t8-,10-,11+,12+,13-,15-/m1/s1
InChIKeyRXAXYUDKRLGSIN-LTIBUCPLSA-N
XLogP2.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one?
The IUPAC name of (1R,2S,5R,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one (CID 139095250) is (1R,2S,5R,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one.
What is the SMILES notation for (1R,2S,5R,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one?
The canonical SMILES for (1R,2S,5R,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one is CC(C)(C)[Si](C)(C)O[C@H]1[C@@H]2CC(=O)[C@H]3[C@@H]2[C@@]3(C)[C@@H]1O.
What is the InChIKey of (1R,2S,5R,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one?
The InChIKey is RXAXYUDKRLGSIN-LTIBUCPLSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-14(2,3)19(5,6)18-12-8-7-9(16)11-10(8)15(11,4)13(12)17/h8,10-13,17H,7H2,1-6H3/t8-,10-,11+,12+,13-,15-/m1/s1.
What are the key properties of (1R,2S,5R,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one?
(1R,2S,5R,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one has a molecular weight of 282.46 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methyltricyclo[3.3.0.02,8]octan-3-one is sourced from PubChem (CID 139095250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).