[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-tri(propan-2-yl)silane

C26H39NOSi — CID 134942488

IUPAC[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1)(C(C)C)C(C)C
InChIInChI=1S/C26H39NOSi/c1-20(2)29(21(3)4,22(5)6)28-26(25-18-13-19-27-25,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-12,14-17,20-22,25,27H,13,18-19H2,1-6H3/t25-/m0/s1
InChIKeyGCWDUYAEDRMRAY-VWLOTQADSA-N
MW409.69 g/mol
LogP6.87
Rot. Bonds8

About [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-tri(propan-2-yl)silane

[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-tri(propan-2-yl)silane (PubChem CID 134942488) has the molecular formula C26H39NOSi and a molecular weight of 409.69 g/mol. Its IUPAC name is [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-tri(propan-2-yl)silane
PubChem CID134942488
Molecular FormulaC26H39NOSi
Molecular Weight409.69 g/mol
Exact Mass409.28
IUPAC Name[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1)(C(C)C)C(C)C
InChIInChI=1S/C26H39NOSi/c1-20(2)29(21(3)4,22(5)6)28-26(25-18-13-19-27-25,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-12,14-17,20-22,25,27H,13,18-19H2,1-6H3/t25-/m0/s1
InChIKeyGCWDUYAEDRMRAY-VWLOTQADSA-N
XLogP6.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.69
LogP ≤ 56.87
H-Bond Donors ≤ 51
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 [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-tri(propan-2-yl)silane?
The IUPAC name of [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-tri(propan-2-yl)silane (CID 134942488) is [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-tri(propan-2-yl)silane is CC(C)[Si](OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1)(C(C)C)C(C)C.
What is the InChIKey of [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-tri(propan-2-yl)silane?
The InChIKey is GCWDUYAEDRMRAY-VWLOTQADSA-N. The full InChI is InChI=1S/C26H39NOSi/c1-20(2)29(21(3)4,22(5)6)28-26(25-18-13-19-27-25,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-12,14-17,20-22,25,27H,13,18-19H2,1-6H3/t25-/m0/s1.
What are the key properties of [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-tri(propan-2-yl)silane?
[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-tri(propan-2-yl)silane has a molecular weight of 409.69 g/mol, XLogP of 6.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 134942488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).