tert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate

C20H39NO7Si — CID 71819467

IUPACtert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1OC(O)[C@@]2(CO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@@H]12
InChIInChI=1S/C20H39NO7Si/c1-17(2,3)27-16(23)21-11-13-14-20(15(22)25-13,28-19(7,8)26-14)12-24-29(9,10)18(4,5)6/h13-15,22H,11-12H2,1-10H3,(H,21,23)/t13-,14+,15?,20+/m1/s1
InChIKeyKLRFYJRHBANYBF-PFBDKYKQSA-N
MW433.62 g/mol
LogP3.14
Rot. Bonds5

About tert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate

tert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate (PubChem CID 71819467) has the molecular formula C20H39NO7Si and a molecular weight of 433.62 g/mol. Its IUPAC name is tert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate
PubChem CID71819467
Molecular FormulaC20H39NO7Si
Molecular Weight433.62 g/mol
Exact Mass433.25
IUPAC Nametert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1OC(O)[C@@]2(CO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@@H]12
InChIInChI=1S/C20H39NO7Si/c1-17(2,3)27-16(23)21-11-13-14-20(15(22)25-13,28-19(7,8)26-14)12-24-29(9,10)18(4,5)6/h13-15,22H,11-12H2,1-10H3,(H,21,23)/t13-,14+,15?,20+/m1/s1
InChIKeyKLRFYJRHBANYBF-PFBDKYKQSA-N
XLogP3.14
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate (CID 71819467) is tert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1OC(O)[C@@]2(CO[Si](C)(C)C(C)(C)C)OC(C)(C)O[C@@H]12.
What is the InChIKey of tert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate?
The InChIKey is KLRFYJRHBANYBF-PFBDKYKQSA-N. The full InChI is InChI=1S/C20H39NO7Si/c1-17(2,3)27-16(23)21-11-13-14-20(15(22)25-13,28-19(7,8)26-14)12-24-29(9,10)18(4,5)6/h13-15,22H,11-12H2,1-10H3,(H,21,23)/t13-,14+,15?,20+/m1/s1.
What are the key properties of tert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate?
tert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate has a molecular weight of 433.62 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3aS,6R,6aS)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methyl]carbamate is sourced from PubChem (CID 71819467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).