trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol

C13H27N3O2Si — CID 161192678

IUPACtrans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@]1(C)CCC[C@H](N=[N+]=[N-])C1O
InChIInChI=1S/C13H27N3O2Si/c1-12(2,3)19(5,6)18-13(4)9-7-8-10(11(13)17)15-16-14/h10-11,17H,7-9H2,1-6H3/t10-,11?,13+/m0/s1
InChIKeyCSWAEAIYVKYICA-CCQDYZPNSA-N
MW285.46 g/mol
LogP3.99
Rot. Bonds3

About trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol

trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol (PubChem CID 161192678) has the molecular formula C13H27N3O2Si and a molecular weight of 285.46 g/mol. Its IUPAC name is trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
PubChem CID161192678
Molecular FormulaC13H27N3O2Si
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Nametrans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@]1(C)CCC[C@H](N=[N+]=[N-])C1O
InChIInChI=1S/C13H27N3O2Si/c1-12(2,3)19(5,6)18-13(4)9-7-8-10(11(13)17)15-16-14/h10-11,17H,7-9H2,1-6H3/t10-,11?,13+/m0/s1
InChIKeyCSWAEAIYVKYICA-CCQDYZPNSA-N
XLogP3.99
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol?
The IUPAC name of trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol (CID 161192678) is trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol.
What is the SMILES notation for trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol?
The canonical SMILES for trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol is CC(C)(C)[Si](C)(C)O[C@]1(C)CCC[C@H](N=[N+]=[N-])C1O.
What is the InChIKey of trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol?
The InChIKey is CSWAEAIYVKYICA-CCQDYZPNSA-N. The full InChI is InChI=1S/C13H27N3O2Si/c1-12(2,3)19(5,6)18-13(4)9-7-8-10(11(13)17)15-16-14/h10-11,17H,7-9H2,1-6H3/t10-,11?,13+/m0/s1.
What are the key properties of trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol?
trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol has a molecular weight of 285.46 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol is sourced from PubChem (CID 161192678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).