[2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane

C31H41NOSi — CID 102431214

IUPAC[2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane
SMILESCC(C)CC(CC(C)C)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C31H41NOSi/c1-25(2)23-31(24-26(3)4,30-21-14-22-32-30)33-34(27-15-8-5-9-16-27,28-17-10-6-11-18-28)29-19-12-7-13-20-29/h5-13,15-20,25-26,30,32H,14,21-24H2,1-4H3/t30-/m0/s1
InChIKeyXDNLKVGLAVPMGF-PMERELPUSA-N
MW471.76 g/mol
LogP5.25
Rot. Bonds10

About [2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane

[2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane (PubChem CID 102431214) has the molecular formula C31H41NOSi and a molecular weight of 471.76 g/mol. Its IUPAC name is [2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane.

Molecular Properties

Compound Name[2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane
PubChem CID102431214
Molecular FormulaC31H41NOSi
Molecular Weight471.76 g/mol
Exact Mass471.30
IUPAC Name[2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane
SMILESCC(C)CC(CC(C)C)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C31H41NOSi/c1-25(2)23-31(24-26(3)4,30-21-14-22-32-30)33-34(27-15-8-5-9-16-27,28-17-10-6-11-18-28)29-19-12-7-13-20-29/h5-13,15-20,25-26,30,32H,14,21-24H2,1-4H3/t30-/m0/s1
InChIKeyXDNLKVGLAVPMGF-PMERELPUSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.76
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane?
The IUPAC name of [2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane (CID 102431214) is [2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane.
What is the SMILES notation for [2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane?
The canonical SMILES for [2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane is CC(C)CC(CC(C)C)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of [2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane?
The InChIKey is XDNLKVGLAVPMGF-PMERELPUSA-N. The full InChI is InChI=1S/C31H41NOSi/c1-25(2)23-31(24-26(3)4,30-21-14-22-32-30)33-34(27-15-8-5-9-16-27,28-17-10-6-11-18-28)29-19-12-7-13-20-29/h5-13,15-20,25-26,30,32H,14,21-24H2,1-4H3/t30-/m0/s1.
What are the key properties of [2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane?
[2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane has a molecular weight of 471.76 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-4-[(2S)-pyrrolidin-2-yl]heptan-4-yl]oxy-triphenylsilane is sourced from PubChem (CID 102431214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).