tert-butyl-[[(1R,2R,5S,6S)-8-methyl-3,7,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-5-yl]oxy]-diphenylsilane

C24H30O5Si — CID 11396199

IUPACtert-butyl-[[(1R,2R,5S,6S)-8-methyl-3,7,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-5-yl]oxy]-diphenylsilane
SMILESCC12OC[C@@H](O1)[C@H]1OC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]1O2
InChIInChI=1S/C24H30O5Si/c1-23(2,3)30(17-11-7-5-8-12-17,18-13-9-6-10-14-18)29-20-15-25-21-19-16-26-24(4,27-19)28-22(20)21/h5-14,19-22H,15-16H2,1-4H3/t19-,20+,21-,22-,24?/m1/s1
InChIKeyZNLKWCVZZZNTHF-POQMNXHYSA-N
MW426.59 g/mol
LogP2.82
Rot. Bonds4

About tert-butyl-[[(1R,2R,5S,6S)-8-methyl-3,7,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-5-yl]oxy]-diphenylsilane

tert-butyl-[[(1R,2R,5S,6S)-8-methyl-3,7,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-5-yl]oxy]-diphenylsilane (PubChem CID 11396199) has the molecular formula C24H30O5Si and a molecular weight of 426.59 g/mol. Its IUPAC name is tert-butyl-[[(1R,2R,5S,6S)-8-methyl-3,7,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-5-yl]oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2R,5S,6S)-8-methyl-3,7,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-5-yl]oxy]-diphenylsilane
PubChem CID11396199
Molecular FormulaC24H30O5Si
Molecular Weight426.59 g/mol
Exact Mass426.19
IUPAC Nametert-butyl-[[(1R,2R,5S,6S)-8-methyl-3,7,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-5-yl]oxy]-diphenylsilane
SMILESCC12OC[C@@H](O1)[C@H]1OC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]1O2
InChIInChI=1S/C24H30O5Si/c1-23(2,3)30(17-11-7-5-8-12-17,18-13-9-6-10-14-18)29-20-15-25-21-19-16-26-24(4,27-19)28-22(20)21/h5-14,19-22H,15-16H2,1-4H3/t19-,20+,21-,22-,24?/m1/s1
InChIKeyZNLKWCVZZZNTHF-POQMNXHYSA-N
XLogP2.82
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 52.82
H-Bond Donors ≤ 50
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 tert-butyl-[[(1R,2R,5S,6S)-8-methyl-3,7,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-5-yl]oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1R,2R,5S,6S)-8-methyl-3,7,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-5-yl]oxy]-diphenylsilane (CID 11396199) is tert-butyl-[[(1R,2R,5S,6S)-8-methyl-3,7,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-5-yl]oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2R,5S,6S)-8-methyl-3,7,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-5-yl]oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1R,2R,5S,6S)-8-methyl-3,7,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-5-yl]oxy]-diphenylsilane is CC12OC[C@@H](O1)[C@H]1OC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]1O2.
What is the InChIKey of tert-butyl-[[(1R,2R,5S,6S)-8-methyl-3,7,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-5-yl]oxy]-diphenylsilane?
The InChIKey is ZNLKWCVZZZNTHF-POQMNXHYSA-N. The full InChI is InChI=1S/C24H30O5Si/c1-23(2,3)30(17-11-7-5-8-12-17,18-13-9-6-10-14-18)29-20-15-25-21-19-16-26-24(4,27-19)28-22(20)21/h5-14,19-22H,15-16H2,1-4H3/t19-,20+,21-,22-,24?/m1/s1.
What are the key properties of tert-butyl-[[(1R,2R,5S,6S)-8-methyl-3,7,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-5-yl]oxy]-diphenylsilane?
tert-butyl-[[(1R,2R,5S,6S)-8-methyl-3,7,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-5-yl]oxy]-diphenylsilane has a molecular weight of 426.59 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2R,5S,6S)-8-methyl-3,7,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-5-yl]oxy]-diphenylsilane is sourced from PubChem (CID 11396199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).