(5S,7R,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-one

C19H36O6Si2 — CID 10716830

IUPAC(5S,7R,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C2OC3O[C@@H]1C(=O)[C@H](O3)[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O6Si2/c1-18(2,3)26(7,8)24-15-12-11(20)13-16(14(15)23-17(21-12)22-13)25-27(9,10)19(4,5)6/h12-17H,1-10H3/t12-,13+,14?,15-,16-,17?/m1/s1
InChIKeyGRHPEMDOYOWYRP-WGGIPJPDSA-N
MW416.66 g/mol
LogP3.82
Rot. Bonds4

About (5S,7R,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-one

(5S,7R,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 10716830) has the molecular formula C19H36O6Si2 and a molecular weight of 416.66 g/mol. Its IUPAC name is (5S,7R,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name(5S,7R,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-one
PubChem CID10716830
Molecular FormulaC19H36O6Si2
Molecular Weight416.66 g/mol
Exact Mass416.21
IUPAC Name(5S,7R,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C2OC3O[C@@H]1C(=O)[C@H](O3)[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O6Si2/c1-18(2,3)26(7,8)24-15-12-11(20)13-16(14(15)23-17(21-12)22-13)25-27(9,10)19(4,5)6/h12-17H,1-10H3/t12-,13+,14?,15-,16-,17?/m1/s1
InChIKeyGRHPEMDOYOWYRP-WGGIPJPDSA-N
XLogP3.82
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.66
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (5S,7R,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of (5S,7R,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-one (CID 10716830) is (5S,7R,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for (5S,7R,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for (5S,7R,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-one is CC(C)(C)[Si](C)(C)O[C@H]1C2OC3O[C@@H]1C(=O)[C@H](O3)[C@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S,7R,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is GRHPEMDOYOWYRP-WGGIPJPDSA-N. The full InChI is InChI=1S/C19H36O6Si2/c1-18(2,3)26(7,8)24-15-12-11(20)13-16(14(15)23-17(21-12)22-13)25-27(9,10)19(4,5)6/h12-17H,1-10H3/t12-,13+,14?,15-,16-,17?/m1/s1.
What are the key properties of (5S,7R,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-one?
(5S,7R,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 416.66 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 10716830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).