2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine

C22H31NO2Si — CID 70818347

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
SMILESCC(C)(C)[Si](OCC1OCCCC1N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NO2Si/c1-22(2,3)26(18-11-6-4-7-12-18,19-13-8-5-9-14-19)25-17-21-20(23)15-10-16-24-21/h4-9,11-14,20-21H,10,15-17,23H2,1-3H3
InChIKeyUAPKKVPDKZYRTJ-UHFFFAOYSA-N
MW369.58 g/mol
LogP3.07
Rot. Bonds5

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine

2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine (PubChem CID 70818347) has the molecular formula C22H31NO2Si and a molecular weight of 369.58 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
PubChem CID70818347
Molecular FormulaC22H31NO2Si
Molecular Weight369.58 g/mol
Exact Mass369.21
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
SMILESCC(C)(C)[Si](OCC1OCCCC1N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NO2Si/c1-22(2,3)26(18-11-6-4-7-12-18,19-13-8-5-9-14-19)25-17-21-20(23)15-10-16-24-21/h4-9,11-14,20-21H,10,15-17,23H2,1-3H3
InChIKeyUAPKKVPDKZYRTJ-UHFFFAOYSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 53.07
H-Bond Donors ≤ 51
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 2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine (CID 70818347) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine is CC(C)(C)[Si](OCC1OCCCC1N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine?
The InChIKey is UAPKKVPDKZYRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2Si/c1-22(2,3)26(18-11-6-4-7-12-18,19-13-8-5-9-14-19)25-17-21-20(23)15-10-16-24-21/h4-9,11-14,20-21H,10,15-17,23H2,1-3H3.
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine has a molecular weight of 369.58 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine is sourced from PubChem (CID 70818347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).