N-(2-dihexoxyphosphorylethylidene)hydroxylamine

C14H30NO4P — CID 169084780

IUPACN-(2-dihexoxyphosphorylethylidene)hydroxylamine
SMILESCCCCCCOP(=O)(CC=NO)OCCCCCC
InChIInChI=1S/C14H30NO4P/c1-3-5-7-9-12-18-20(17,14-11-15-16)19-13-10-8-6-4-2/h11,16H,3-10,12-14H2,1-2H3
InChIKeyXMDFRBYQVPLSOA-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.83
Rot. Bonds14

About N-(2-dihexoxyphosphorylethylidene)hydroxylamine

N-(2-dihexoxyphosphorylethylidene)hydroxylamine (PubChem CID 169084780) has the molecular formula C14H30NO4P and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(2-dihexoxyphosphorylethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-dihexoxyphosphorylethylidene)hydroxylamine
PubChem CID169084780
Molecular FormulaC14H30NO4P
Molecular Weight307.37 g/mol
Exact Mass307.19
IUPAC NameN-(2-dihexoxyphosphorylethylidene)hydroxylamine
SMILESCCCCCCOP(=O)(CC=NO)OCCCCCC
InChIInChI=1S/C14H30NO4P/c1-3-5-7-9-12-18-20(17,14-11-15-16)19-13-10-8-6-4-2/h11,16H,3-10,12-14H2,1-2H3
InChIKeyXMDFRBYQVPLSOA-UHFFFAOYSA-N
XLogP4.83
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

N-(2-diethoxyphosphorylethylidene)hydroxylamine
CID 71335397
1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane
CID 54567675
1-[heptoxy(prop-2-enyl)phosphoryl]oxyheptane
CID 176894700
1-[dodecoxy(ethyl)phosphoryl]oxydodecane
CID 154323164
1-[ethyl(octoxy)phosphoryl]oxyoctane
CID 574233
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-didecoxyphosphoryltetradecane
CID 151616748
1-dioctoxyphosphoryldecane
CID 141369437
1-dihexoxyphosphoryltetradecane
CID 151638840
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-diheptoxyphosphoryloctadecane
CID 153322672

Frequently Asked Questions

What is the IUPAC name of N-(2-dihexoxyphosphorylethylidene)hydroxylamine?
The IUPAC name of N-(2-dihexoxyphosphorylethylidene)hydroxylamine (CID 169084780) is N-(2-dihexoxyphosphorylethylidene)hydroxylamine.
What is the SMILES notation for N-(2-dihexoxyphosphorylethylidene)hydroxylamine?
The canonical SMILES for N-(2-dihexoxyphosphorylethylidene)hydroxylamine is CCCCCCOP(=O)(CC=NO)OCCCCCC.
What is the InChIKey of N-(2-dihexoxyphosphorylethylidene)hydroxylamine?
The InChIKey is XMDFRBYQVPLSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NO4P/c1-3-5-7-9-12-18-20(17,14-11-15-16)19-13-10-8-6-4-2/h11,16H,3-10,12-14H2,1-2H3.
What are the key properties of N-(2-dihexoxyphosphorylethylidene)hydroxylamine?
N-(2-dihexoxyphosphorylethylidene)hydroxylamine has a molecular weight of 307.37 g/mol, XLogP of 4.83, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dihexoxyphosphorylethylidene)hydroxylamine is sourced from PubChem (CID 169084780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).