[1-benzyl-5-(methoxymethyl)pyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane

C20H35NO2Si — CID 19914920

IUPAC[1-benzyl-5-(methoxymethyl)pyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCOCC1CCC(CO[Si](C)(C)C(C)(C)C)N1Cc1ccccc1
InChIInChI=1S/C20H35NO2Si/c1-20(2,3)24(5,6)23-16-19-13-12-18(15-22-4)21(19)14-17-10-8-7-9-11-17/h7-11,18-19H,12-16H2,1-6H3
InChIKeyKQNUAYMQTSYGCC-UHFFFAOYSA-N
MW349.59 g/mol
LogP4.69
Rot. Bonds7

About [1-benzyl-5-(methoxymethyl)pyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane

[1-benzyl-5-(methoxymethyl)pyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 19914920) has the molecular formula C20H35NO2Si and a molecular weight of 349.59 g/mol. Its IUPAC name is [1-benzyl-5-(methoxymethyl)pyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-benzyl-5-(methoxymethyl)pyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID19914920
Molecular FormulaC20H35NO2Si
Molecular Weight349.59 g/mol
Exact Mass349.24
IUPAC Name[1-benzyl-5-(methoxymethyl)pyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCOCC1CCC(CO[Si](C)(C)C(C)(C)C)N1Cc1ccccc1
InChIInChI=1S/C20H35NO2Si/c1-20(2,3)24(5,6)23-16-19-13-12-18(15-22-4)21(19)14-17-10-8-7-9-11-17/h7-11,18-19H,12-16H2,1-6H3
InChIKeyKQNUAYMQTSYGCC-UHFFFAOYSA-N
XLogP4.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.59
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [1-benzyl-5-(methoxymethyl)pyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [1-benzyl-5-(methoxymethyl)pyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane (CID 19914920) is [1-benzyl-5-(methoxymethyl)pyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-benzyl-5-(methoxymethyl)pyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1-benzyl-5-(methoxymethyl)pyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane is COCC1CCC(CO[Si](C)(C)C(C)(C)C)N1Cc1ccccc1.
What is the InChIKey of [1-benzyl-5-(methoxymethyl)pyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is KQNUAYMQTSYGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2Si/c1-20(2,3)24(5,6)23-16-19-13-12-18(15-22-4)21(19)14-17-10-8-7-9-11-17/h7-11,18-19H,12-16H2,1-6H3.
What are the key properties of [1-benzyl-5-(methoxymethyl)pyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane?
[1-benzyl-5-(methoxymethyl)pyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 349.59 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-(methoxymethyl)pyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 19914920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).