(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol

C29H45N3O3Si — CID 59055138

IUPAC(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
SMILESCCCCCCC[C@@H](O)CCOCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C29H45N3O3Si/c1-5-6-7-8-11-16-26(33)21-22-34-23-25(31-32-30)24-35-36(29(2,3)4,27-17-12-9-13-18-27)28-19-14-10-15-20-28/h9-10,12-15,17-20,25-26,33H,5-8,11,16,21-24H2,1-4H3/t25?,26-/m1/s1
InChIKeyNLXNHZIAYPADOA-FXDYGKIASA-N
MW511.78 g/mol
LogP6.37
Rot. Bonds17

About (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol

(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol (PubChem CID 59055138) has the molecular formula C29H45N3O3Si and a molecular weight of 511.78 g/mol. Its IUPAC name is (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
PubChem CID59055138
Molecular FormulaC29H45N3O3Si
Molecular Weight511.78 g/mol
Exact Mass511.32
IUPAC Name(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol
SMILESCCCCCCC[C@@H](O)CCOCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C29H45N3O3Si/c1-5-6-7-8-11-16-26(33)21-22-34-23-25(31-32-30)24-35-36(29(2,3)4,27-17-12-9-13-18-27)28-19-14-10-15-20-28/h9-10,12-15,17-20,25-26,33H,5-8,11,16,21-24H2,1-4H3/t25?,26-/m1/s1
InChIKeyNLXNHZIAYPADOA-FXDYGKIASA-N
XLogP6.37
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.78
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol?
The IUPAC name of (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol (CID 59055138) is (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol.
What is the SMILES notation for (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol?
The canonical SMILES for (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol is CCCCCCC[C@@H](O)CCOCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol?
The InChIKey is NLXNHZIAYPADOA-FXDYGKIASA-N. The full InChI is InChI=1S/C29H45N3O3Si/c1-5-6-7-8-11-16-26(33)21-22-34-23-25(31-32-30)24-35-36(29(2,3)4,27-17-12-9-13-18-27)28-19-14-10-15-20-28/h9-10,12-15,17-20,25-26,33H,5-8,11,16,21-24H2,1-4H3/t25?,26-/m1/s1.
What are the key properties of (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol?
(3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol has a molecular weight of 511.78 g/mol, XLogP of 6.37, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]decan-3-ol is sourced from PubChem (CID 59055138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).