CID 90125491

C13H24BN3O3Si — CID 90125491

IUPAC—
SMILES[B][C@@H]1O[C@@]2(CO[Si](C)(C)C(C)(C)C)COC[C@@H]1[C@@H]2N=[N+]=[N-]
InChIInChI=1S/C13H24BN3O3Si/c1-12(2,3)21(4,5)19-8-13-7-18-6-9(11(14)20-13)10(13)16-17-15/h9-11H,6-8H2,1-5H3/t9-,10+,11-,13-/m1/s1
InChIKeyIMCKNZMOKPIQTH-LSCVPOLPSA-N
MW309.25 g/mol
LogP2.60
Rot. Bonds4

About CID 90125491

CID 90125491 (PubChem CID 90125491) has the molecular formula C13H24BN3O3Si and a molecular weight of 309.25 g/mol.

Molecular Properties

Compound NameCID 90125491
PubChem CID90125491
Molecular FormulaC13H24BN3O3Si
Molecular Weight309.25 g/mol
Exact Mass309.17
IUPAC Name—
SMILES[B][C@@H]1O[C@@]2(CO[Si](C)(C)C(C)(C)C)COC[C@@H]1[C@@H]2N=[N+]=[N-]
InChIInChI=1S/C13H24BN3O3Si/c1-12(2,3)21(4,5)19-8-13-7-18-6-9(11(14)20-13)10(13)16-17-15/h9-11H,6-8H2,1-5H3/t9-,10+,11-,13-/m1/s1
InChIKeyIMCKNZMOKPIQTH-LSCVPOLPSA-N
XLogP2.60
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 174001100
3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-amine
CID 171692296
[(3aR,6R,7S,7aR)-7-azido-4-ethyl-6-methoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-dimethylsilane
CID 174153778
[(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
methyl (2S,3S,4R,5R)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 100984962
[(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 11336259
[(1R,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl acetate
CID 10681674
[(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 101103543
1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutan-1-ol
CID 70362766
CID 59483029
CID 59483029
[(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10555726
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl] formate
CID 88528246

Frequently Asked Questions

What is the IUPAC name of CID 90125491?
The IUPAC name of CID 90125491 (CID 90125491) is not available.
What is the SMILES notation for CID 90125491?
The canonical SMILES for CID 90125491 is [B][C@@H]1O[C@@]2(CO[Si](C)(C)C(C)(C)C)COC[C@@H]1[C@@H]2N=[N+]=[N-].
What is the InChIKey of CID 90125491?
The InChIKey is IMCKNZMOKPIQTH-LSCVPOLPSA-N. The full InChI is InChI=1S/C13H24BN3O3Si/c1-12(2,3)21(4,5)19-8-13-7-18-6-9(11(14)20-13)10(13)16-17-15/h9-11H,6-8H2,1-5H3/t9-,10+,11-,13-/m1/s1.
What are the key properties of CID 90125491?
CID 90125491 has a molecular weight of 309.25 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90125491 is sourced from PubChem (CID 90125491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).