tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane

C19H30OSi — CID 12061237

IUPACtert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2C[C@H]1C[C@H]2c1ccccc1
InChIInChI=1S/C19H30OSi/c1-19(2,3)21(4,5)20-18-13-15-11-16(18)12-17(15)14-9-7-6-8-10-14/h6-10,15-18H,11-13H2,1-5H3/t15-,16-,17-,18+/m0/s1
InChIKeyCFEOGSHLELKMTN-XLAORIBOSA-N
MW302.53 g/mol
LogP5.59
Rot. Bonds3

About tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane

tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane (PubChem CID 12061237) has the molecular formula C19H30OSi and a molecular weight of 302.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane
PubChem CID12061237
Molecular FormulaC19H30OSi
Molecular Weight302.53 g/mol
Exact Mass302.21
IUPAC Nametert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2C[C@H]1C[C@H]2c1ccccc1
InChIInChI=1S/C19H30OSi/c1-19(2,3)21(4,5)20-18-13-15-11-16(18)12-17(15)14-9-7-6-8-10-14/h6-10,15-18H,11-13H2,1-5H3/t15-,16-,17-,18+/m0/s1
InChIKeyCFEOGSHLELKMTN-XLAORIBOSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.53
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane (CID 12061237) is tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2C[C@H]1C[C@H]2c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane?
The InChIKey is CFEOGSHLELKMTN-XLAORIBOSA-N. The full InChI is InChI=1S/C19H30OSi/c1-19(2,3)21(4,5)20-18-13-15-11-16(18)12-17(15)14-9-7-6-8-10-14/h6-10,15-18H,11-13H2,1-5H3/t15-,16-,17-,18+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane?
tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane has a molecular weight of 302.53 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane is sourced from PubChem (CID 12061237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).