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

C22H31NO2Si — CID 86709005

IUPAC(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
SMILESCC(C)(C)[Si](OC[C@H]1OCCC[C@@H]1N)(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/t20-,21+/m0/s1
InChIKeyUAPKKVPDKZYRTJ-LEWJYISDSA-N
MW369.58 g/mol
LogP3.07
Rot. Bonds5

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

(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine (PubChem CID 86709005) has the molecular formula C22H31NO2Si and a molecular weight of 369.58 g/mol. Its IUPAC name is (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
PubChem CID86709005
Molecular FormulaC22H31NO2Si
Molecular Weight369.58 g/mol
Exact Mass369.21
IUPAC Name(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
SMILESCC(C)(C)[Si](OC[C@H]1OCCC[C@@H]1N)(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/t20-,21+/m0/s1
InChIKeyUAPKKVPDKZYRTJ-LEWJYISDSA-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 (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine?
The IUPAC name of (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine (CID 86709005) is (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine.
What is the SMILES notation for (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine?
The canonical SMILES for (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine is CC(C)(C)[Si](OC[C@H]1OCCC[C@@H]1N)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine?
The InChIKey is UAPKKVPDKZYRTJ-LEWJYISDSA-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/t20-,21+/m0/s1.
What are the key properties of (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine?
(2S,3S)-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 (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine is sourced from PubChem (CID 86709005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).