tert-butyl-[[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane

C24H30O2Si — CID 11417603

IUPACtert-butyl-[[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane
SMILESC[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C24H30O2Si/c1-18-21(23-16-15-22(18)26-23)17-25-27(24(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,18,21-23H,17H2,1-4H3/t18-,21+,22+,23-/m0/s1
InChIKeyHFHGQQMFELSCDP-MKWLTTDUSA-N
MW378.59 g/mol
LogP4.15
Rot. Bonds5

About tert-butyl-[[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane (PubChem CID 11417603) has the molecular formula C24H30O2Si and a molecular weight of 378.59 g/mol. Its IUPAC name is tert-butyl-[[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane
PubChem CID11417603
Molecular FormulaC24H30O2Si
Molecular Weight378.59 g/mol
Exact Mass378.20
IUPAC Nametert-butyl-[[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane
SMILESC[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C24H30O2Si/c1-18-21(23-16-15-22(18)26-23)17-25-27(24(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,18,21-23H,17H2,1-4H3/t18-,21+,22+,23-/m0/s1
InChIKeyHFHGQQMFELSCDP-MKWLTTDUSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 54.15
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,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane (CID 11417603) is tert-butyl-[[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane is C[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]2C=C[C@H]1O2.
What is the InChIKey of tert-butyl-[[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane?
The InChIKey is HFHGQQMFELSCDP-MKWLTTDUSA-N. The full InChI is InChI=1S/C24H30O2Si/c1-18-21(23-16-15-22(18)26-23)17-25-27(24(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,18,21-23H,17H2,1-4H3/t18-,21+,22+,23-/m0/s1.
What are the key properties of tert-butyl-[[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane has a molecular weight of 378.59 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 11417603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).