(3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one

C36H81NO6Si5 — CID 101409259

IUPAC(3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H81NO6Si5/c1-32(2,3)44(16,17)39-26-27-28(40-45(18,19)33(4,5)6)29(41-46(20,21)34(7,8)9)30(42-47(22,23)35(10,11)12)31(38)37(27)43-48(24,25)36(13,14)15/h27-30H,26H2,1-25H3/t27-,28-,29-,30+/m0/s1
InChIKeyBWXMMICTXFLYNT-GCXHJFECSA-N
MW764.47 g/mol
LogP11.33
Rot. Bonds11

About (3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one

(3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one (PubChem CID 101409259) has the molecular formula C36H81NO6Si5 and a molecular weight of 764.47 g/mol. Its IUPAC name is (3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one.

Molecular Properties

Compound Name(3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one
PubChem CID101409259
Molecular FormulaC36H81NO6Si5
Molecular Weight764.47 g/mol
Exact Mass763.49
IUPAC Name(3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H81NO6Si5/c1-32(2,3)44(16,17)39-26-27-28(40-45(18,19)33(4,5)6)29(41-46(20,21)34(7,8)9)30(42-47(22,23)35(10,11)12)31(38)37(27)43-48(24,25)36(13,14)15/h27-30H,26H2,1-25H3/t27-,28-,29-,30+/m0/s1
InChIKeyBWXMMICTXFLYNT-GCXHJFECSA-N
XLogP11.33
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.47
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one?
The IUPAC name of (3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one (CID 101409259) is (3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one.
What is the SMILES notation for (3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one?
The canonical SMILES for (3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one is CC(C)(C)[Si](C)(C)OC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one?
The InChIKey is BWXMMICTXFLYNT-GCXHJFECSA-N. The full InChI is InChI=1S/C36H81NO6Si5/c1-32(2,3)44(16,17)39-26-27-28(40-45(18,19)33(4,5)6)29(41-46(20,21)34(7,8)9)30(42-47(22,23)35(10,11)12)31(38)37(27)43-48(24,25)36(13,14)15/h27-30H,26H2,1-25H3/t27-,28-,29-,30+/m0/s1.
What are the key properties of (3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one?
(3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one has a molecular weight of 764.47 g/mol, XLogP of 11.33, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6S)-1,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one is sourced from PubChem (CID 101409259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).