[bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane

C24H35NOSi — CID 16733538

IUPAC[bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
SMILESCc1cc(C)cc(C(O[Si](C)(C)C)(c2cc(C)cc(C)c2)[C@@H]2CCCN2)c1
InChIInChI=1S/C24H35NOSi/c1-17-11-18(2)14-21(13-17)24(26-27(5,6)7,23-9-8-10-25-23)22-15-19(3)12-20(4)16-22/h11-16,23,25H,8-10H2,1-7H3/t23-/m0/s1
InChIKeyJQCAWHIRAPRAPR-QHCPKHFHSA-N
MW381.64 g/mol
LogP5.77
Rot. Bonds5

About [bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane

[bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane (PubChem CID 16733538) has the molecular formula C24H35NOSi and a molecular weight of 381.64 g/mol. Its IUPAC name is [bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane.

Molecular Properties

Compound Name[bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
PubChem CID16733538
Molecular FormulaC24H35NOSi
Molecular Weight381.64 g/mol
Exact Mass381.25
IUPAC Name[bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
SMILESCc1cc(C)cc(C(O[Si](C)(C)C)(c2cc(C)cc(C)c2)[C@@H]2CCCN2)c1
InChIInChI=1S/C24H35NOSi/c1-17-11-18(2)14-21(13-17)24(26-27(5,6)7,23-9-8-10-25-23)22-15-19(3)12-20(4)16-22/h11-16,23,25H,8-10H2,1-7H3/t23-/m0/s1
InChIKeyJQCAWHIRAPRAPR-QHCPKHFHSA-N
XLogP5.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.64
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane?
The IUPAC name of [bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane (CID 16733538) is [bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane.
What is the SMILES notation for [bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane?
The canonical SMILES for [bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane is Cc1cc(C)cc(C(O[Si](C)(C)C)(c2cc(C)cc(C)c2)[C@@H]2CCCN2)c1.
What is the InChIKey of [bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane?
The InChIKey is JQCAWHIRAPRAPR-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H35NOSi/c1-17-11-18(2)14-21(13-17)24(26-27(5,6)7,23-9-8-10-25-23)22-15-19(3)12-20(4)16-22/h11-16,23,25H,8-10H2,1-7H3/t23-/m0/s1.
What are the key properties of [bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane?
[bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane has a molecular weight of 381.64 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane is sourced from PubChem (CID 16733538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).