tert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane

C23H47NOSi — CID 10714898

IUPACtert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane
SMILESCC(C)[C@@H]1CCN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C23H47NOSi/c1-17(2)19-13-14-24(16-19)23(7,8)20-12-11-18(3)15-21(20)25-26(9,10)22(4,5)6/h17-21H,11-16H2,1-10H3/t18-,19-,20-,21-/m1/s1
InChIKeyCGHIGGREGLHIJK-XRXFAXGQSA-N
MW381.72 g/mol
LogP6.57
Rot. Bonds5

About tert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane

tert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane (PubChem CID 10714898) has the molecular formula C23H47NOSi and a molecular weight of 381.72 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane
PubChem CID10714898
Molecular FormulaC23H47NOSi
Molecular Weight381.72 g/mol
Exact Mass381.34
IUPAC Nametert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane
SMILESCC(C)[C@@H]1CCN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C23H47NOSi/c1-17(2)19-13-14-24(16-19)23(7,8)20-12-11-18(3)15-21(20)25-26(9,10)22(4,5)6/h17-21H,11-16H2,1-10H3/t18-,19-,20-,21-/m1/s1
InChIKeyCGHIGGREGLHIJK-XRXFAXGQSA-N
XLogP6.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.72
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane (CID 10714898) is tert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane is CC(C)[C@@H]1CCN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane?
The InChIKey is CGHIGGREGLHIJK-XRXFAXGQSA-N. The full InChI is InChI=1S/C23H47NOSi/c1-17(2)19-13-14-24(16-19)23(7,8)20-12-11-18(3)15-21(20)25-26(9,10)22(4,5)6/h17-21H,11-16H2,1-10H3/t18-,19-,20-,21-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane?
tert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane has a molecular weight of 381.72 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane is sourced from PubChem (CID 10714898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).