11-[tert-butyl(dimethyl)silyl]oxy-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10-dioxabicyclo[6.2.2]dodecan-12-ol

C23H48O5Si2 — CID 21023457

IUPAC11-[tert-butyl(dimethyl)silyl]oxy-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10-dioxabicyclo[6.2.2]dodecan-12-ol
SMILESCC(C)(C)[Si](C)(C)OCC1OC2OCCCCCC1C(O)C2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O5Si2/c1-22(2,3)29(7,8)26-16-18-17-14-12-11-13-15-25-21(27-18)20(19(17)24)28-30(9,10)23(4,5)6/h17-21,24H,11-16H2,1-10H3
InChIKeyVRCVNOLNCKGDKF-UHFFFAOYSA-N
MW460.80 g/mol
LogP5.69
Rot. Bonds5

About 11-[tert-butyl(dimethyl)silyl]oxy-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10-dioxabicyclo[6.2.2]dodecan-12-ol

11-[tert-butyl(dimethyl)silyl]oxy-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10-dioxabicyclo[6.2.2]dodecan-12-ol (PubChem CID 21023457) has the molecular formula C23H48O5Si2 and a molecular weight of 460.80 g/mol. Its IUPAC name is 11-[tert-butyl(dimethyl)silyl]oxy-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10-dioxabicyclo[6.2.2]dodecan-12-ol.

Molecular Properties

Compound Name11-[tert-butyl(dimethyl)silyl]oxy-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10-dioxabicyclo[6.2.2]dodecan-12-ol
PubChem CID21023457
Molecular FormulaC23H48O5Si2
Molecular Weight460.80 g/mol
Exact Mass460.30
IUPAC Name11-[tert-butyl(dimethyl)silyl]oxy-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10-dioxabicyclo[6.2.2]dodecan-12-ol
SMILESCC(C)(C)[Si](C)(C)OCC1OC2OCCCCCC1C(O)C2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O5Si2/c1-22(2,3)29(7,8)26-16-18-17-14-12-11-13-15-25-21(27-18)20(19(17)24)28-30(9,10)23(4,5)6/h17-21,24H,11-16H2,1-10H3
InChIKeyVRCVNOLNCKGDKF-UHFFFAOYSA-N
XLogP5.69
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.80
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 11-[tert-butyl(dimethyl)silyl]oxy-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10-dioxabicyclo[6.2.2]dodecan-12-ol?
The IUPAC name of 11-[tert-butyl(dimethyl)silyl]oxy-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10-dioxabicyclo[6.2.2]dodecan-12-ol (CID 21023457) is 11-[tert-butyl(dimethyl)silyl]oxy-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10-dioxabicyclo[6.2.2]dodecan-12-ol.
What is the SMILES notation for 11-[tert-butyl(dimethyl)silyl]oxy-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10-dioxabicyclo[6.2.2]dodecan-12-ol?
The canonical SMILES for 11-[tert-butyl(dimethyl)silyl]oxy-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10-dioxabicyclo[6.2.2]dodecan-12-ol is CC(C)(C)[Si](C)(C)OCC1OC2OCCCCCC1C(O)C2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 11-[tert-butyl(dimethyl)silyl]oxy-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10-dioxabicyclo[6.2.2]dodecan-12-ol?
The InChIKey is VRCVNOLNCKGDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O5Si2/c1-22(2,3)29(7,8)26-16-18-17-14-12-11-13-15-25-21(27-18)20(19(17)24)28-30(9,10)23(4,5)6/h17-21,24H,11-16H2,1-10H3.
What are the key properties of 11-[tert-butyl(dimethyl)silyl]oxy-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10-dioxabicyclo[6.2.2]dodecan-12-ol?
11-[tert-butyl(dimethyl)silyl]oxy-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10-dioxabicyclo[6.2.2]dodecan-12-ol has a molecular weight of 460.80 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[tert-butyl(dimethyl)silyl]oxy-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,10-dioxabicyclo[6.2.2]dodecan-12-ol is sourced from PubChem (CID 21023457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).