(3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile

C23H30N2O2Si — CID 66588772

IUPAC(3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile
SMILESCC(C)(C)[Si](OC[C@@H]1CC[C@@](N)(C#N)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O2Si/c1-22(2,3)28(20-10-6-4-7-11-20,21-12-8-5-9-13-21)27-16-19-14-15-23(25,17-24)18-26-19/h4-13,19H,14-16,18,25H2,1-3H3/t19-,23+/m0/s1
InChIKeyLBYCUIAYXMKKEZ-WMZHIEFXSA-N
MW394.59 g/mol
LogP2.96
Rot. Bonds5

About (3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile

(3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile (PubChem CID 66588772) has the molecular formula C23H30N2O2Si and a molecular weight of 394.59 g/mol. Its IUPAC name is (3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile.

Molecular Properties

Compound Name(3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile
PubChem CID66588772
Molecular FormulaC23H30N2O2Si
Molecular Weight394.59 g/mol
Exact Mass394.21
IUPAC Name(3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile
SMILESCC(C)(C)[Si](OC[C@@H]1CC[C@@](N)(C#N)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O2Si/c1-22(2,3)28(20-10-6-4-7-11-20,21-12-8-5-9-13-21)27-16-19-14-15-23(25,17-24)18-26-19/h4-13,19H,14-16,18,25H2,1-3H3/t19-,23+/m0/s1
InChIKeyLBYCUIAYXMKKEZ-WMZHIEFXSA-N
XLogP2.96
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626
1-[1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopropane-1-carbonitrile
CID 169182525
[(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 N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate
CID 142544419
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
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
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile?
The IUPAC name of (3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile (CID 66588772) is (3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile.
What is the SMILES notation for (3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile?
The canonical SMILES for (3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile is CC(C)(C)[Si](OC[C@@H]1CC[C@@](N)(C#N)CO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile?
The InChIKey is LBYCUIAYXMKKEZ-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H30N2O2Si/c1-22(2,3)28(20-10-6-4-7-11-20,21-12-8-5-9-13-21)27-16-19-14-15-23(25,17-24)18-26-19/h4-13,19H,14-16,18,25H2,1-3H3/t19-,23+/m0/s1.
What are the key properties of (3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile?
(3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile has a molecular weight of 394.59 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-amino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3-carbonitrile is sourced from PubChem (CID 66588772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).