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

C8H18NO4P — CID 73178711

IUPACN-[2-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine
SMILESCC(C)OP(=O)(CC=NO)OC(C)C
InChIInChI=1S/C8H18NO4P/c1-7(2)12-14(11,6-5-9-10)13-8(3)4/h5,7-8,10H,6H2,1-4H3
InChIKeyGDUGHMKTHNLWDC-UHFFFAOYSA-N
MW223.21 g/mol
LogP2.49
Rot. Bonds6

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

N-[2-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine (PubChem CID 73178711) has the molecular formula C8H18NO4P and a molecular weight of 223.21 g/mol. Its IUPAC name is N-[2-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine
PubChem CID73178711
Molecular FormulaC8H18NO4P
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC NameN-[2-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine
SMILESCC(C)OP(=O)(CC=NO)OC(C)C
InChIInChI=1S/C8H18NO4P/c1-7(2)12-14(11,6-5-9-10)13-8(3)4/h5,7-8,10H,6H2,1-4H3
InChIKeyGDUGHMKTHNLWDC-UHFFFAOYSA-N
XLogP2.49
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 52.49
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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Related Compounds

CID 13204159
CID 13204159
CID 11052878
CID 11052878
CID 13294122
CID 13294122
CID 13294123
CID 13294123
CID 135087044
CID 135087044
CID 135087116
CID 135087116
CID 23260353
CID 23260353
CID 23260354
CID 23260354
CID 21614132
CID 21614132
CID 71329549
CID 71329549
CID 71335397
CID 71335397
CID 146347071
CID 146347071

Frequently Asked Questions

What is the IUPAC name of N-[2-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine?
The IUPAC name of N-[2-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine (CID 73178711) is N-[2-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine.
What is the SMILES notation for N-[2-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine?
The canonical SMILES for N-[2-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine is CC(C)OP(=O)(CC=NO)OC(C)C.
What is the InChIKey of N-[2-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine?
The InChIKey is GDUGHMKTHNLWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO4P/c1-7(2)12-14(11,6-5-9-10)13-8(3)4/h5,7-8,10H,6H2,1-4H3.
What are the key properties of N-[2-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine?
N-[2-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine has a molecular weight of 223.21 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine is sourced from PubChem (CID 73178711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).