[bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride

C24H36ClNOSi — CID 71310394

IUPAC[bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride
SMILESCc1cc(C)cc(C(O[Si](C)(C)C)(c2cc(C)cc(C)c2)[C@H]2CCCN2)c1.Cl
InChIInChI=1S/C24H35NOSi.ClH/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;1H/t23-;/m1./s1
InChIKeyWTDMRDKYLPARGO-GNAFDRTKSA-N
MW418.10 g/mol
LogP6.19
Rot. Bonds5

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

[bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride (PubChem CID 71310394) has the molecular formula C24H36ClNOSi and a molecular weight of 418.10 g/mol. Its IUPAC name is [bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride.

Molecular Properties

Compound Name[bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride
PubChem CID71310394
Molecular FormulaC24H36ClNOSi
Molecular Weight418.10 g/mol
Exact Mass417.23
IUPAC Name[bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride
SMILESCc1cc(C)cc(C(O[Si](C)(C)C)(c2cc(C)cc(C)c2)[C@H]2CCCN2)c1.Cl
InChIInChI=1S/C24H35NOSi.ClH/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;1H/t23-;/m1./s1
InChIKeyWTDMRDKYLPARGO-GNAFDRTKSA-N
XLogP6.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.10
LogP ≤ 56.19
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 [bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride?
The IUPAC name of [bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride (CID 71310394) is [bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride.
What is the SMILES notation for [bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride?
The canonical SMILES for [bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride is Cc1cc(C)cc(C(O[Si](C)(C)C)(c2cc(C)cc(C)c2)[C@H]2CCCN2)c1.Cl.
What is the InChIKey of [bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride?
The InChIKey is WTDMRDKYLPARGO-GNAFDRTKSA-N. The full InChI is InChI=1S/C24H35NOSi.ClH/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;1H/t23-;/m1./s1.
What are the key properties of [bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride?
[bis(3,5-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride has a molecular weight of 418.10 g/mol, XLogP of 6.19, 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)-[(2R)-pyrrolidin-2-yl]methoxy]-trimethylsilane;hydrochloride is sourced from PubChem (CID 71310394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).