(2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid

C13H31N3O5SSi — CID 158383800

IUPAC(2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@H](CO)CCCN=[N+]=[N-].CS(=O)(=O)O
InChIInChI=1S/C12H27N3O2Si.CH4O3S/c1-12(2,3)18(4,5)17-10-11(9-16)7-6-8-14-15-13;1-5(2,3)4/h11,16H,6-10H2,1-5H3;1H3,(H,2,3,4)/t11-;/m0./s1
InChIKeyGWCVBPPCEHTMLD-MERQFXBCSA-N
MW369.56 g/mol
LogP3.21
Rot. Bonds8

About (2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid

(2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid (PubChem CID 158383800) has the molecular formula C13H31N3O5SSi and a molecular weight of 369.56 g/mol. Its IUPAC name is (2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid.

Molecular Properties

Compound Name(2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid
PubChem CID158383800
Molecular FormulaC13H31N3O5SSi
Molecular Weight369.56 g/mol
Exact Mass369.18
IUPAC Name(2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@H](CO)CCCN=[N+]=[N-].CS(=O)(=O)O
InChIInChI=1S/C12H27N3O2Si.CH4O3S/c1-12(2,3)18(4,5)17-10-11(9-16)7-6-8-14-15-13;1-5(2,3)4/h11,16H,6-10H2,1-5H3;1H3,(H,2,3,4)/t11-;/m0./s1
InChIKeyGWCVBPPCEHTMLD-MERQFXBCSA-N
XLogP3.21
TPSA132.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.56
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-azido-2-ethylpentan-1-ol
CID 134846588
4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol
CID 174057536
(2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 71369485
[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]butyl] methanesulfonate
CID 10063178
tert-butyl (2S)-2-amino-5-azidopentanoate
CID 150134039
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol
CID 174174824
3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal
CID 101239528
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
azidoethane;methanesulfonic acid
CID 123670862
[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid
CID 22607409
(2S)-5-azidopentane-1,2-diol
CID 22854627

Frequently Asked Questions

What is the IUPAC name of (2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid?
The IUPAC name of (2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid (CID 158383800) is (2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid.
What is the SMILES notation for (2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid?
The canonical SMILES for (2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid is CC(C)(C)[Si](C)(C)OC[C@H](CO)CCCN=[N+]=[N-].CS(=O)(=O)O.
What is the InChIKey of (2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid?
The InChIKey is GWCVBPPCEHTMLD-MERQFXBCSA-N. The full InChI is InChI=1S/C12H27N3O2Si.CH4O3S/c1-12(2,3)18(4,5)17-10-11(9-16)7-6-8-14-15-13;1-5(2,3)4/h11,16H,6-10H2,1-5H3;1H3,(H,2,3,4)/t11-;/m0./s1.
What are the key properties of (2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid?
(2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid has a molecular weight of 369.56 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentan-1-ol;methanesulfonic acid is sourced from PubChem (CID 158383800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).