tert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate

C20H41NO6Si — CID 10526124

IUPACtert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
SMILESC[C@@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H41NO6Si/c1-13(22)15-16(26-20(8,9)25-15)14(21-17(23)27-18(2,3)4)12-24-28(10,11)19(5,6)7/h13-16,22H,12H2,1-11H3,(H,21,23)/t13-,14-,15-,16-/m1/s1
InChIKeyBKUCJPMIWYMIQM-KLHDSHLOSA-N
MW419.64 g/mol
LogP3.80
Rot. Bonds6

About tert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate

tert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate (PubChem CID 10526124) has the molecular formula C20H41NO6Si and a molecular weight of 419.64 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
PubChem CID10526124
Molecular FormulaC20H41NO6Si
Molecular Weight419.64 g/mol
Exact Mass419.27
IUPAC Nametert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
SMILESC[C@@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H41NO6Si/c1-13(22)15-16(26-20(8,9)25-15)14(21-17(23)27-18(2,3)4)12-24-28(10,11)19(5,6)7/h13-16,22H,12H2,1-11H3,(H,21,23)/t13-,14-,15-,16-/m1/s1
InChIKeyBKUCJPMIWYMIQM-KLHDSHLOSA-N
XLogP3.80
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.64
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3R,4S,5R,6S)-2,4-dihydroxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]carbamate
CID 135017743
tert-butyl N-[(3S,4R,5R,6S)-2,4-dihydroxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl]carbamate
CID 176443140
(5S,6S,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8-dihydroxy-1,10-dioxa-3-azaspiro[4.5]decan-2-one
CID 11823345
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
CID 12096982
tert-butyl N-[(2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate
CID 12096984
tert-butyl N-[(2S,5S)-4,5-dihydroxy-2-[(2R,5R)-5-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate
CID 68302864
tert-butyl N-[(2S,3R,4R)-2-[(1R)-1,2-dibutoxyethyl]-4-hydroxyoxolan-3-yl]carbamate
CID 68345343
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-(1-hydroxypentadecyl)-1,3-oxazolidin-2-one
CID 85387941
butyl N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethyl]carbamate
CID 90131790
5-(1-Hydroxypentadecyl)-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one
CID 142703855
tert-butyl N-[(3R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]carbamate
CID 149607835
tert-butyl N-[[(7S)-7-amino-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
CID 173997338

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate (CID 10526124) is tert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate is C[C@@H](O)[C@H]1OC(C)(C)O[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate?
The InChIKey is BKUCJPMIWYMIQM-KLHDSHLOSA-N. The full InChI is InChI=1S/C20H41NO6Si/c1-13(22)15-16(26-20(8,9)25-15)14(21-17(23)27-18(2,3)4)12-24-28(10,11)19(5,6)7/h13-16,22H,12H2,1-11H3,(H,21,23)/t13-,14-,15-,16-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate?
tert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate has a molecular weight of 419.64 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-[(1R)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate is sourced from PubChem (CID 10526124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).