1-azido-3-diethoxyphosphorylpropane

C7H16N3O3P — CID 10867835

IUPAC1-azido-3-diethoxyphosphorylpropane
SMILESCCOP(=O)(CCCN=[N+]=[N-])OCC
InChIInChI=1S/C7H16N3O3P/c1-3-12-14(11,13-4-2)7-5-6-9-10-8/h3-7H2,1-2H3
InChIKeyUQFBMEBPBDKNCW-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.95
Rot. Bonds8

About 1-azido-3-diethoxyphosphorylpropane

1-azido-3-diethoxyphosphorylpropane (PubChem CID 10867835) has the molecular formula C7H16N3O3P and a molecular weight of 221.20 g/mol. Its IUPAC name is 1-azido-3-diethoxyphosphorylpropane.

Molecular Properties

Compound Name1-azido-3-diethoxyphosphorylpropane
PubChem CID10867835
Molecular FormulaC7H16N3O3P
Molecular Weight221.20 g/mol
Exact Mass221.09
IUPAC Name1-azido-3-diethoxyphosphorylpropane
SMILESCCOP(=O)(CCCN=[N+]=[N-])OCC
InChIInChI=1S/C7H16N3O3P/c1-3-12-14(11,13-4-2)7-5-6-9-10-8/h3-7H2,1-2H3
InChIKeyUQFBMEBPBDKNCW-UHFFFAOYSA-N
XLogP2.95
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.95
H-Bond Donors ≤ 50
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-azidoethyl-diethoxy-methylidene-λ5-phosphane
CID 118613730
1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
(2R)-2-azido-4-diethoxyphosphorylbutanoic acid
CID 101406077
8-diethoxyphosphoryloctan-1-ol
CID 10515886
1-[2-azidoethyl(ethoxy)phosphoryl]oxy-4-nitrobenzene
CID 24806191
2-diethoxyphosphorylacetyl azide
CID 59835448
1-diethoxyphosphoryl-2-isocyanatoethane
CID 86222303
1-azidobutane
CID 4563922
5-diethoxyphosphoryl-2-methylpent-1-ene
CID 11345027
6-diethoxyphosphorylhexan-3-one
CID 91326618
5-diethoxyphosphorylpentanenitrile
CID 54374059

Frequently Asked Questions

What is the IUPAC name of 1-azido-3-diethoxyphosphorylpropane?
The IUPAC name of 1-azido-3-diethoxyphosphorylpropane (CID 10867835) is 1-azido-3-diethoxyphosphorylpropane.
What is the SMILES notation for 1-azido-3-diethoxyphosphorylpropane?
The canonical SMILES for 1-azido-3-diethoxyphosphorylpropane is CCOP(=O)(CCCN=[N+]=[N-])OCC.
What is the InChIKey of 1-azido-3-diethoxyphosphorylpropane?
The InChIKey is UQFBMEBPBDKNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N3O3P/c1-3-12-14(11,13-4-2)7-5-6-9-10-8/h3-7H2,1-2H3.
What are the key properties of 1-azido-3-diethoxyphosphorylpropane?
1-azido-3-diethoxyphosphorylpropane has a molecular weight of 221.20 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-diethoxyphosphorylpropane is sourced from PubChem (CID 10867835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).