2-azidoethyl-diethoxy-methylidene-λ5-phosphane

C7H16N3O2P — CID 118613730

IUPAC2-azidoethyl-diethoxy-methylidene-λ5-phosphane
SMILESC=P(CCN=[N+]=[N-])(OCC)OCC
InChIInChI=1S/C7H16N3O2P/c1-4-11-13(3,12-5-2)7-6-9-10-8/h3-7H2,1-2H3
InChIKeyHRVDOCVGUYTUKD-UHFFFAOYSA-N
MW205.20 g/mol
LogP2.65
Rot. Bonds7

About 2-azidoethyl-diethoxy-methylidene-λ5-phosphane

2-azidoethyl-diethoxy-methylidene-λ5-phosphane (PubChem CID 118613730) has the molecular formula C7H16N3O2P and a molecular weight of 205.20 g/mol. Its IUPAC name is 2-azidoethyl-diethoxy-methylidene-λ5-phosphane.

Molecular Properties

Compound Name2-azidoethyl-diethoxy-methylidene-λ5-phosphane
PubChem CID118613730
Molecular FormulaC7H16N3O2P
Molecular Weight205.20 g/mol
Exact Mass205.10
IUPAC Name2-azidoethyl-diethoxy-methylidene-λ5-phosphane
SMILESC=P(CCN=[N+]=[N-])(OCC)OCC
InChIInChI=1S/C7H16N3O2P/c1-4-11-13(3,12-5-2)7-6-9-10-8/h3-7H2,1-2H3
InChIKeyHRVDOCVGUYTUKD-UHFFFAOYSA-N
XLogP2.65
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-azido-3-diethoxyphosphorylpropane
CID 10867835
1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 151612117
ethyl 4-azido-2,2-dimethylbutanoate
CID 150968965
1-[2-azidoethyl(ethoxy)phosphoryl]oxy-4-nitrobenzene
CID 24806191
diethoxy-methyl-methylidene-λ5-phosphane
CID 23377083
1-azidobutane
CID 4563922
3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane
CID 86678262
3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene
CID 14941296
azido(azidomethoxy)methane
CID 86050261
3-azidopropyl(triethoxy)phosphanium
CID 164843743
ethyl 4-(2-azidoethyl)piperazine-1-carboxylate
CID 107877648
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 89142386

Frequently Asked Questions

What is the IUPAC name of 2-azidoethyl-diethoxy-methylidene-λ5-phosphane?
The IUPAC name of 2-azidoethyl-diethoxy-methylidene-λ5-phosphane (CID 118613730) is 2-azidoethyl-diethoxy-methylidene-λ5-phosphane.
What is the SMILES notation for 2-azidoethyl-diethoxy-methylidene-λ5-phosphane?
The canonical SMILES for 2-azidoethyl-diethoxy-methylidene-λ5-phosphane is C=P(CCN=[N+]=[N-])(OCC)OCC.
What is the InChIKey of 2-azidoethyl-diethoxy-methylidene-λ5-phosphane?
The InChIKey is HRVDOCVGUYTUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N3O2P/c1-4-11-13(3,12-5-2)7-6-9-10-8/h3-7H2,1-2H3.
What are the key properties of 2-azidoethyl-diethoxy-methylidene-λ5-phosphane?
2-azidoethyl-diethoxy-methylidene-λ5-phosphane has a molecular weight of 205.20 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidoethyl-diethoxy-methylidene-λ5-phosphane is sourced from PubChem (CID 118613730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).