N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine

C8H18NO4P — CID 23260353

IUPACN-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine
SMILESCC(=NO)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C8H18NO4P/c1-6(2)12-14(11,8(5)9-10)13-7(3)4/h6-7,10H,1-5H3
InChIKeyICRVBBDJZGSKMP-UHFFFAOYSA-N
MW223.21 g/mol
LogP2.84
Rot. Bonds5

About N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine

N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine (PubChem CID 23260353) has the molecular formula C8H18NO4P and a molecular weight of 223.21 g/mol. Its IUPAC name is N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine
PubChem CID23260353
Molecular FormulaC8H18NO4P
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC NameN-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine
SMILESCC(=NO)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C8H18NO4P/c1-6(2)12-14(11,8(5)9-10)13-7(3)4/h6-7,10H,1-5H3
InChIKeyICRVBBDJZGSKMP-UHFFFAOYSA-N
XLogP2.84
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine?
The IUPAC name of N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine (CID 23260353) is N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine.
What is the SMILES notation for N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine?
The canonical SMILES for N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine is CC(=NO)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine?
The InChIKey is ICRVBBDJZGSKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO4P/c1-6(2)12-14(11,8(5)9-10)13-7(3)4/h6-7,10H,1-5H3.
What are the key properties of N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine?
N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine has a molecular weight of 223.21 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine is sourced from PubChem (CID 23260353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).