[4-azido-1,1-bis(diethoxyphosphoryl)butoxy]-tert-butyl-dimethylsilane

C18H41N3O7P2Si — CID 11670576

IUPAC[4-azido-1,1-bis(diethoxyphosphoryl)butoxy]-tert-butyl-dimethylsilane
SMILESCCOP(=O)(OCC)C(CCCN=[N+]=[N-])(O[Si](C)(C)C(C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C18H41N3O7P2Si/c1-10-24-29(22,25-11-2)18(15-14-16-20-21-19,28-31(8,9)17(5,6)7)30(23,26-12-3)27-13-4/h10-16H2,1-9H3
InChIKeyNOSLIHKZUTVJCC-UHFFFAOYSA-N
MW501.57 g/mol
LogP7.28
Rot. Bonds16

About [4-azido-1,1-bis(diethoxyphosphoryl)butoxy]-tert-butyl-dimethylsilane

[4-azido-1,1-bis(diethoxyphosphoryl)butoxy]-tert-butyl-dimethylsilane (PubChem CID 11670576) has the molecular formula C18H41N3O7P2Si and a molecular weight of 501.57 g/mol. Its IUPAC name is [4-azido-1,1-bis(diethoxyphosphoryl)butoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-azido-1,1-bis(diethoxyphosphoryl)butoxy]-tert-butyl-dimethylsilane
PubChem CID11670576
Molecular FormulaC18H41N3O7P2Si
Molecular Weight501.57 g/mol
Exact Mass501.22
IUPAC Name[4-azido-1,1-bis(diethoxyphosphoryl)butoxy]-tert-butyl-dimethylsilane
SMILESCCOP(=O)(OCC)C(CCCN=[N+]=[N-])(O[Si](C)(C)C(C)(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C18H41N3O7P2Si/c1-10-24-29(22,25-11-2)18(15-14-16-20-21-19,28-31(8,9)17(5,6)7)30(23,26-12-3)27-13-4/h10-16H2,1-9H3
InChIKeyNOSLIHKZUTVJCC-UHFFFAOYSA-N
XLogP7.28
TPSA129.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.57
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 [4-azido-1,1-bis(diethoxyphosphoryl)butoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [4-azido-1,1-bis(diethoxyphosphoryl)butoxy]-tert-butyl-dimethylsilane (CID 11670576) is [4-azido-1,1-bis(diethoxyphosphoryl)butoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-azido-1,1-bis(diethoxyphosphoryl)butoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [4-azido-1,1-bis(diethoxyphosphoryl)butoxy]-tert-butyl-dimethylsilane is CCOP(=O)(OCC)C(CCCN=[N+]=[N-])(O[Si](C)(C)C(C)(C)C)P(=O)(OCC)OCC.
What is the InChIKey of [4-azido-1,1-bis(diethoxyphosphoryl)butoxy]-tert-butyl-dimethylsilane?
The InChIKey is NOSLIHKZUTVJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N3O7P2Si/c1-10-24-29(22,25-11-2)18(15-14-16-20-21-19,28-31(8,9)17(5,6)7)30(23,26-12-3)27-13-4/h10-16H2,1-9H3.
What are the key properties of [4-azido-1,1-bis(diethoxyphosphoryl)butoxy]-tert-butyl-dimethylsilane?
[4-azido-1,1-bis(diethoxyphosphoryl)butoxy]-tert-butyl-dimethylsilane has a molecular weight of 501.57 g/mol, XLogP of 7.28, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-azido-1,1-bis(diethoxyphosphoryl)butoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11670576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).