(2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol

C13H29N3O4Si — CID 57239687

IUPAC(2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol
SMILESCOC(C[C@@H](N=[N+]=[N-])[C@@H](O)CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C13H29N3O4Si/c1-13(2,3)21(6,7)20-9-11(17)10(15-16-14)8-12(18-4)19-5/h10-12,17H,8-9H2,1-7H3/t10-,11+/m1/s1
InChIKeyIWAYNMKZOZZDCF-MNOVXSKESA-N
MW319.48 g/mol
LogP3.06
Rot. Bonds9

About (2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol

(2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol (PubChem CID 57239687) has the molecular formula C13H29N3O4Si and a molecular weight of 319.48 g/mol. Its IUPAC name is (2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol
PubChem CID57239687
Molecular FormulaC13H29N3O4Si
Molecular Weight319.48 g/mol
Exact Mass319.19
IUPAC Name(2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol
SMILESCOC(C[C@@H](N=[N+]=[N-])[C@@H](O)CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C13H29N3O4Si/c1-13(2,3)21(6,7)20-9-11(17)10(15-16-14)8-12(18-4)19-5/h10-12,17H,8-9H2,1-7H3/t10-,11+/m1/s1
InChIKeyIWAYNMKZOZZDCF-MNOVXSKESA-N
XLogP3.06
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
CID 10247403
(2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol
CID 90032368
(1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol
CID 10979398
(1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol
CID 10664705
4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol
CID 174057536
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
(2S,3S,4S)-4-azido-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-phenylmethoxypentan-2-ol
CID 102160249
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol
CID 58797956
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
[(2S,3R)-2-azido-4-diethoxyphosphoryl-4,4-difluoro-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10549776

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol?
The IUPAC name of (2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol (CID 57239687) is (2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol.
What is the SMILES notation for (2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol?
The canonical SMILES for (2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol is COC(C[C@@H](N=[N+]=[N-])[C@@H](O)CO[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of (2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol?
The InChIKey is IWAYNMKZOZZDCF-MNOVXSKESA-N. The full InChI is InChI=1S/C13H29N3O4Si/c1-13(2,3)21(6,7)20-9-11(17)10(15-16-14)8-12(18-4)19-5/h10-12,17H,8-9H2,1-7H3/t10-,11+/m1/s1.
What are the key properties of (2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol?
(2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol has a molecular weight of 319.48 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol is sourced from PubChem (CID 57239687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).