2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine

C10H21N4O3PSi2 — CID 2754939

IUPAC2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine
SMILESC[Si]1(C)O[Si](C)(C)N(N)P(=O)(Oc2ccccc2)N1N
InChIInChI=1S/C10H21N4O3PSi2/c1-19(2)13(11)18(15,14(12)20(3,4)17-19)16-10-8-6-5-7-9-10/h5-9H,11-12H2,1-4H3
InChIKeyLQSXJGVBUNHWFI-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.96
Rot. Bonds2

About 2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine

2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine (PubChem CID 2754939) has the molecular formula C10H21N4O3PSi2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine
PubChem CID2754939
Molecular FormulaC10H21N4O3PSi2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine
SMILESC[Si]1(C)O[Si](C)(C)N(N)P(=O)(Oc2ccccc2)N1N
InChIInChI=1S/C10H21N4O3PSi2/c1-19(2)13(11)18(15,14(12)20(3,4)17-19)16-10-8-6-5-7-9-10/h5-9H,11-12H2,1-4H3
InChIKeyLQSXJGVBUNHWFI-UHFFFAOYSA-N
XLogP1.96
TPSA94.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6Z)-1,3-diethyl-2-phenoxy-4,5,8,9-tetrahydro-1,3,2λ5-diazaphosphonine 2-oxide
CID 166922544
4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 23416155
4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 23418629
(6Z)-1,3-diethyl-2-phenoxy-5,8-dihydro-4H-1,3,2λ5-diazaphosphocine 2-oxide
CID 169073830
4,6,15,17,26,28,37,39-octamethyl-5,16,27,38-tetraphenoxy-3,4,6,7,14,15,17,18,25,26,28,29,36,37,39,40,45,46,47,48-icosaza-5λ5,16λ5,27λ5,38λ5-tetraphosphapentacyclo[40.2.1.19,12.120,23.131,34]octatetraconta-1(44),2,7,9,11,13,18,20,22,24,29,31,33,35,40,42-hexadecaene 5,16,27,38-tetraoxide
CID 177439761
1-methyl-1-phenoxysiletane
CID 139777846
11-phenoxybenzo[d][1,3,6,2]benzodioxathiaphosphocine 11-oxide
CID 172701636
3-phenoxy-1,5-dihydro-2,4,3lambda5-benzodioxaphosphepine 3-oxide
CID 13459942
(2R)-2-oxo-2-phenoxy-3-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one
CID 11864500
2,4,6,8,10,12-hexafluoro-2,4,6,8,10,12-hexaphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
CID 59283717
N,N-dimethylmethanamine;O-phenylhydroxylamine
CID 174658047
6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
CID 73229129

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine?
The IUPAC name of 2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine (CID 2754939) is 2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine is C[Si]1(C)O[Si](C)(C)N(N)P(=O)(Oc2ccccc2)N1N.
What is the InChIKey of 2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine?
The InChIKey is LQSXJGVBUNHWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N4O3PSi2/c1-19(2)13(11)18(15,14(12)20(3,4)17-19)16-10-8-6-5-7-9-10/h5-9H,11-12H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine?
2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine has a molecular weight of 332.45 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine is sourced from PubChem (CID 2754939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).