[[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite

C15H26ClN4O5P3 — CID 11844850

IUPAC[[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite
SMILESCC(C)N(C(C)C)P(OP(Cl)OCCC#N)OP(OCCC#N)OCCC#N
InChIInChI=1S/C15H26ClN4O5P3/c1-14(2)20(15(3)4)27(24-26(16)21-11-5-8-17)25-28(22-12-6-9-18)23-13-7-10-19/h14-15H,5-7,11-13H2,1-4H3
InChIKeyFEFAWVUITCHFHB-UHFFFAOYSA-N
MW470.77 g/mol
LogP5.85
Rot. Bonds16

About [[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite

[[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite (PubChem CID 11844850) has the molecular formula C15H26ClN4O5P3 and a molecular weight of 470.77 g/mol. Its IUPAC name is [[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite.

Molecular Properties

Compound Name[[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite
PubChem CID11844850
Molecular FormulaC15H26ClN4O5P3
Molecular Weight470.77 g/mol
Exact Mass470.08
IUPAC Name[[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite
SMILESCC(C)N(C(C)C)P(OP(Cl)OCCC#N)OP(OCCC#N)OCCC#N
InChIInChI=1S/C15H26ClN4O5P3/c1-14(2)20(15(3)4)27(24-26(16)21-11-5-8-17)25-28(22-12-6-9-18)23-13-7-10-19/h14-15H,5-7,11-13H2,1-4H3
InChIKeyFEFAWVUITCHFHB-UHFFFAOYSA-N
XLogP5.85
TPSA120.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.77
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(dimethylamino)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88576258
3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 46852394
2-cyanoethyl dipropan-2-yl phosphite
CID 22619650
3-[[di(propan-2-yl)amino]-prop-2-ynoxyphosphanyl]oxypropanenitrile
CID 166792181
3-[[di(propan-2-yl)amino]-(2-ethylsulfonylethoxy)phosphanyl]oxypropanenitrile
CID 76660393
3-[2-deuterioethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88572187
3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropanenitrile;methylhydrazine
CID 170783738
3-[[di(propan-2-yl)amino]-[3-methyl-3-(3-methylbutoxy)butoxy]phosphanyl]oxypropanenitrile;ethane
CID 170645688
3-[(4-amino-2-methoxybutoxy)-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 138485326
3-[1-bicyclo[1.1.1]pentanyloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 153336220
acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane
CID 170710647
3-[[di(propan-2-yl)amino]-(2-triphenylsilylethoxy)phosphanyl]oxypropanenitrile
CID 10006330

Frequently Asked Questions

What is the IUPAC name of [[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite?
The IUPAC name of [[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite (CID 11844850) is [[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite.
What is the SMILES notation for [[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite?
The canonical SMILES for [[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite is CC(C)N(C(C)C)P(OP(Cl)OCCC#N)OP(OCCC#N)OCCC#N.
What is the InChIKey of [[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite?
The InChIKey is FEFAWVUITCHFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN4O5P3/c1-14(2)20(15(3)4)27(24-26(16)21-11-5-8-17)25-28(22-12-6-9-18)23-13-7-10-19/h14-15H,5-7,11-13H2,1-4H3.
What are the key properties of [[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite?
[[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite has a molecular weight of 470.77 g/mol, XLogP of 5.85, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [[chloro(2-cyanoethoxy)phosphanyl]oxy-[di(propan-2-yl)amino]phosphanyl] bis(2-cyanoethyl) phosphite is sourced from PubChem (CID 11844850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).