(3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one

C15H27N3O5Si — CID 11602892

IUPAC(3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)O[C@H]2[C@@H]([C@@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-])OC(=O)[C@H]2O1
InChIInChI=1S/C15H27N3O5Si/c1-14(2,3)24(6,7)20-8-9(17-18-16)10-11-12(13(19)21-10)23-15(4,5)22-11/h9-12H,8H2,1-7H3/t9-,10-,11+,12+/m1/s1
InChIKeyDODRPLKUCBFVPS-WYUUTHIRSA-N
MW357.48 g/mol
LogP3.13
Rot. Bonds5

About (3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one

(3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one (PubChem CID 11602892) has the molecular formula C15H27N3O5Si and a molecular weight of 357.48 g/mol. Its IUPAC name is (3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
PubChem CID11602892
Molecular FormulaC15H27N3O5Si
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name(3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)O[C@H]2[C@@H]([C@@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-])OC(=O)[C@H]2O1
InChIInChI=1S/C15H27N3O5Si/c1-14(2,3)24(6,7)20-8-9(17-18-16)10-11-12(13(19)21-10)23-15(4,5)22-11/h9-12H,8H2,1-7H3/t9-,10-,11+,12+/m1/s1
InChIKeyDODRPLKUCBFVPS-WYUUTHIRSA-N
XLogP3.13
TPSA102.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The IUPAC name of (3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one (CID 11602892) is (3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one.
What is the SMILES notation for (3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The canonical SMILES for (3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one is CC1(C)O[C@H]2[C@@H]([C@@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-])OC(=O)[C@H]2O1.
What is the InChIKey of (3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The InChIKey is DODRPLKUCBFVPS-WYUUTHIRSA-N. The full InChI is InChI=1S/C15H27N3O5Si/c1-14(2,3)24(6,7)20-8-9(17-18-16)10-11-12(13(19)21-10)23-15(4,5)22-11/h9-12H,8H2,1-7H3/t9-,10-,11+,12+/m1/s1.
What are the key properties of (3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
(3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one has a molecular weight of 357.48 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one is sourced from PubChem (CID 11602892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).