(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine

C22H31NO2Si — CID 142544481

IUPAC(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
SMILESCC(C)(C)[Si](OC[C@@H]1CC[C@@H](N)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NO2Si/c1-22(2,3)26(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-17-19-15-14-18(23)16-24-19/h4-13,18-19H,14-17,23H2,1-3H3/t18-,19+/m1/s1
InChIKeyXTQXLWAAWHNWOB-MOPGFXCFSA-N
MW369.58 g/mol
LogP3.07
Rot. Bonds5

About (3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine

(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine (PubChem CID 142544481) has the molecular formula C22H31NO2Si and a molecular weight of 369.58 g/mol. Its IUPAC name is (3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine.

Molecular Properties

Compound Name(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
PubChem CID142544481
Molecular FormulaC22H31NO2Si
Molecular Weight369.58 g/mol
Exact Mass369.21
IUPAC Name(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
SMILESCC(C)(C)[Si](OC[C@@H]1CC[C@@H](N)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NO2Si/c1-22(2,3)26(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-17-19-15-14-18(23)16-24-19/h4-13,18-19H,14-17,23H2,1-3H3/t18-,19+/m1/s1
InChIKeyXTQXLWAAWHNWOB-MOPGFXCFSA-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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Related Compounds

tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626
tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate
CID 142544419
(3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile
CID 66588772
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane
CID 102228442
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane
CID 57408148
(2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11070201
(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 10907211

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine?
The IUPAC name of (3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine (CID 142544481) is (3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine.
What is the SMILES notation for (3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine?
The canonical SMILES for (3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine is CC(C)(C)[Si](OC[C@@H]1CC[C@@H](N)CO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine?
The InChIKey is XTQXLWAAWHNWOB-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H31NO2Si/c1-22(2,3)26(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-17-19-15-14-18(23)16-24-19/h4-13,18-19H,14-17,23H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of (3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine?
(3R,6S)-6-[[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 (3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine is sourced from PubChem (CID 142544481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).