[(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane

C13H27N3O2Si — CID 123169753

IUPAC[(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESCO[C@@H]1CCC[C@H](N=[N+]=[N-])[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27N3O2Si/c1-13(2,3)19(5,6)18-12-10(15-16-14)8-7-9-11(12)17-4/h10-12H,7-9H2,1-6H3/t10-,11+,12+/m0/s1
InChIKeyLBLBVZPWMJSSEO-QJPTWQEYSA-N
MW285.46 g/mol
LogP4.25
Rot. Bonds4

About [(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane

[(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 123169753) has the molecular formula C13H27N3O2Si and a molecular weight of 285.46 g/mol. Its IUPAC name is [(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
PubChem CID123169753
Molecular FormulaC13H27N3O2Si
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name[(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESCO[C@@H]1CCC[C@H](N=[N+]=[N-])[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27N3O2Si/c1-13(2,3)19(5,6)18-12-10(15-16-14)8-7-9-11(12)17-4/h10-12H,7-9H2,1-6H3/t10-,11+,12+/m0/s1
InChIKeyLBLBVZPWMJSSEO-QJPTWQEYSA-N
XLogP4.25
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.25
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine
CID 67291290
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
CID 161192678
tert-butyl 3-azido-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 73081086
[(3aS,4R,5R,6R,6aS)-6-azido-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]oxy-tert-butyl-dimethylsilane
CID 10813158
[(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 174001100
2,2-dimethylhexan-3-yl (3S,4R)-3-azido-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 175821071
tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane
CID 178070071
tert-butyl-[(5R)-3,5-diazidocyclohexyl]oxy-dimethylsilane;cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diamine;methane;methanol
CID 158415129
(2R,4S,5S,6R)-4-azido-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-3-one
CID 11360512
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904845
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904797

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane (CID 123169753) is [(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane is CO[C@@H]1CCC[C@H](N=[N+]=[N-])[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is LBLBVZPWMJSSEO-QJPTWQEYSA-N. The full InChI is InChI=1S/C13H27N3O2Si/c1-13(2,3)19(5,6)18-12-10(15-16-14)8-7-9-11(12)17-4/h10-12H,7-9H2,1-6H3/t10-,11+,12+/m0/s1.
What are the key properties of [(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane?
[(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 285.46 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 123169753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).