tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate

C16H33NO5Si — CID 10936954

IUPACtert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1COC(O)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO5Si/c1-15(2,3)22-14(19)17-12-10-20-13(18)11(12)9-21-23(7,8)16(4,5)6/h11-13,18H,9-10H2,1-8H3,(H,17,19)/t11-,12+,13?/m0/s1
InChIKeyQQGFFXDAEQQOGC-LAGVYOHYSA-N
MW347.53 g/mol
LogP2.87
Rot. Bonds4

About tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate

tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate (PubChem CID 10936954) has the molecular formula C16H33NO5Si and a molecular weight of 347.53 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate
PubChem CID10936954
Molecular FormulaC16H33NO5Si
Molecular Weight347.53 g/mol
Exact Mass347.21
IUPAC Nametert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1COC(O)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO5Si/c1-15(2,3)22-14(19)17-12-10-20-13(18)11(12)9-21-23(7,8)16(4,5)6/h11-13,18H,9-10H2,1-8H3,(H,17,19)/t11-,12+,13?/m0/s1
InChIKeyQQGFFXDAEQQOGC-LAGVYOHYSA-N
XLogP2.87
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate (CID 10936954) is tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1COC(O)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate?
The InChIKey is QQGFFXDAEQQOGC-LAGVYOHYSA-N. The full InChI is InChI=1S/C16H33NO5Si/c1-15(2,3)22-14(19)17-12-10-20-13(18)11(12)9-21-23(7,8)16(4,5)6/h11-13,18H,9-10H2,1-8H3,(H,17,19)/t11-,12+,13?/m0/s1.
What are the key properties of tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate?
tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate has a molecular weight of 347.53 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate is sourced from PubChem (CID 10936954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).