[(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane

C28H41N3O2Si2 — CID 70963461

IUPAC[(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)=C[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C28H41N3O2Si2/c1-27(2,3)34(7,8)33-26-20-22(19-25(26)30-31-29)21-32-35(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-19,25-26H,20-21H2,1-8H3/t25-,26?/m0/s1
InChIKeyFZXJHGVNZABLPW-PMCHYTPCSA-N
MW507.83 g/mol
LogP6.96
Rot. Bonds8

About [(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane

[(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 70963461) has the molecular formula C28H41N3O2Si2 and a molecular weight of 507.83 g/mol. Its IUPAC name is [(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID70963461
Molecular FormulaC28H41N3O2Si2
Molecular Weight507.83 g/mol
Exact Mass507.27
IUPAC Name[(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)=C[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C28H41N3O2Si2/c1-27(2,3)34(7,8)33-26-20-22(19-25(26)30-31-29)21-32-35(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-19,25-26H,20-21H2,1-8H3/t25-,26?/m0/s1
InChIKeyFZXJHGVNZABLPW-PMCHYTPCSA-N
XLogP6.96
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.83
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 52918394
(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 11954841
(2R,3R,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 102322669
[(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 10021768
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(3S,4R)-4-azido-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol
CID 10738751
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019
[(1S,4S)-4-azido-2-(phenylmethoxymethyl)cyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane
CID 10552846
methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate
CID 23255904
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one
CID 11005929
[(2R,3S,4R,5R)-5-azido-6-fluoro-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11802442
tert-butyl-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 102304224

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane (CID 70963461) is [(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](C)(C)OC1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)=C[C@@H]1N=[N+]=[N-].
What is the InChIKey of [(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is FZXJHGVNZABLPW-PMCHYTPCSA-N. The full InChI is InChI=1S/C28H41N3O2Si2/c1-27(2,3)34(7,8)33-26-20-22(19-25(26)30-31-29)21-32-35(28(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-19,25-26H,20-21H2,1-8H3/t25-,26?/m0/s1.
What are the key properties of [(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane?
[(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 507.83 g/mol, XLogP of 6.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 70963461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).