[(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane

C25H33N3O3Si — CID 14018436

IUPAC[(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC1(C)O[C@@H]2[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H](N=[N+]=[N-])[C@@H]2O1
InChIInChI=1S/C25H33N3O3Si/c1-24(2,3)32(19-12-8-6-9-13-19,20-14-10-7-11-15-20)29-17-18-16-21(27-28-26)23-22(18)30-25(4,5)31-23/h6-15,18,21-23H,16-17H2,1-5H3/t18-,21-,22-,23+/m1/s1
InChIKeyOSSOEFOMVYIVQL-HWHRFOGPSA-N
MW451.64 g/mol
LogP4.78
Rot. Bonds6

About [(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane

[(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 14018436) has the molecular formula C25H33N3O3Si and a molecular weight of 451.64 g/mol. Its IUPAC name is [(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID14018436
Molecular FormulaC25H33N3O3Si
Molecular Weight451.64 g/mol
Exact Mass451.23
IUPAC Name[(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC1(C)O[C@@H]2[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H](N=[N+]=[N-])[C@@H]2O1
InChIInChI=1S/C25H33N3O3Si/c1-24(2,3)32(19-12-8-6-9-13-19,20-14-10-7-11-15-20)29-17-18-16-21(27-28-26)23-22(18)30-25(4,5)31-23/h6-15,18,21-23H,16-17H2,1-5H3/t18-,21-,22-,23+/m1/s1
InChIKeyOSSOEFOMVYIVQL-HWHRFOGPSA-N
XLogP4.78
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.64
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane with MolForge

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Related Compounds

[(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 42597620
[(2R)-2-[(3aR,5R,6R,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-azidoethoxy]-tert-butyl-diphenylsilane
CID 17752793
2-[(3aR,5S,6R,6aR)-5-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethoxy-tert-butyl-diphenylsilane
CID 46856113
2-[(3aR,5R,6R,6aR)-6-(azidomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-diphenylsilane
CID 101758912
(1S,2S,4R,5R,6S)-2-[tert-butyl(diphenyl)silyl]oxy-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-amine
CID 101795252
[(3aR,4S,6S,6aR)-6-[(1S)-1-azidoethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-diphenylsilane
CID 122398056

Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane (CID 14018436) is [(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane is CC1(C)O[C@@H]2[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H](N=[N+]=[N-])[C@@H]2O1.
What is the InChIKey of [(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is OSSOEFOMVYIVQL-HWHRFOGPSA-N. The full InChI is InChI=1S/C25H33N3O3Si/c1-24(2,3)32(19-12-8-6-9-13-19,20-14-10-7-11-15-20)29-17-18-16-21(27-28-26)23-22(18)30-25(4,5)31-23/h6-15,18,21-23H,16-17H2,1-5H3/t18-,21-,22-,23+/m1/s1.
What are the key properties of [(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane?
[(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 451.64 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 14018436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).