tert-butyl-[[(1S,6R,7R,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]methoxy]-diphenylsilane

C26H34O2Si — CID 11407119

IUPACtert-butyl-[[(1S,6R,7R,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]methoxy]-diphenylsilane
SMILESC[C@@H]1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2CC=CC[C@@H]1O2
InChIInChI=1S/C26H34O2Si/c1-20-23(25-18-12-11-17-24(20)28-25)19-27-29(26(2,3)4,21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-16,20,23-25H,17-19H2,1-4H3/t20-,23+,24+,25-/m1/s1
InChIKeyMBEFVSYMCSXRRQ-AKAGGGOCSA-N
MW406.64 g/mol
LogP4.93
Rot. Bonds5

About tert-butyl-[[(1S,6R,7R,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]methoxy]-diphenylsilane

tert-butyl-[[(1S,6R,7R,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]methoxy]-diphenylsilane (PubChem CID 11407119) has the molecular formula C26H34O2Si and a molecular weight of 406.64 g/mol. Its IUPAC name is tert-butyl-[[(1S,6R,7R,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,6R,7R,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]methoxy]-diphenylsilane
PubChem CID11407119
Molecular FormulaC26H34O2Si
Molecular Weight406.64 g/mol
Exact Mass406.23
IUPAC Nametert-butyl-[[(1S,6R,7R,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]methoxy]-diphenylsilane
SMILESC[C@@H]1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2CC=CC[C@@H]1O2
InChIInChI=1S/C26H34O2Si/c1-20-23(25-18-12-11-17-24(20)28-25)19-27-29(26(2,3)4,21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-16,20,23-25H,17-19H2,1-4H3/t20-,23+,24+,25-/m1/s1
InChIKeyMBEFVSYMCSXRRQ-AKAGGGOCSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.64
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,6R,7R,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1S,6R,7R,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]methoxy]-diphenylsilane (CID 11407119) is tert-butyl-[[(1S,6R,7R,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1S,6R,7R,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1S,6R,7R,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]methoxy]-diphenylsilane is C[C@@H]1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2CC=CC[C@@H]1O2.
What is the InChIKey of tert-butyl-[[(1S,6R,7R,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]methoxy]-diphenylsilane?
The InChIKey is MBEFVSYMCSXRRQ-AKAGGGOCSA-N. The full InChI is InChI=1S/C26H34O2Si/c1-20-23(25-18-12-11-17-24(20)28-25)19-27-29(26(2,3)4,21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-16,20,23-25H,17-19H2,1-4H3/t20-,23+,24+,25-/m1/s1.
What are the key properties of tert-butyl-[[(1S,6R,7R,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]methoxy]-diphenylsilane?
tert-butyl-[[(1S,6R,7R,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]methoxy]-diphenylsilane has a molecular weight of 406.64 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,6R,7R,8R)-8-methyl-9-oxabicyclo[4.2.1]non-3-en-7-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 11407119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).