1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine

C20H46N2O6P2 — CID 151189278

IUPAC1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine
SMILESCCCCCCCCOP(=O)(NNP(=O)(OCC)OCC)OCCCCCCCC
InChIInChI=1S/C20H46N2O6P2/c1-5-9-11-13-15-17-19-27-30(24,28-20-18-16-14-12-10-6-2)22-21-29(23,25-7-3)26-8-4/h5-20H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyNFYVLTSKPXMEGO-UHFFFAOYSA-N
MW472.54 g/mol
LogP7.12
Rot. Bonds23

About 1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine

1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine (PubChem CID 151189278) has the molecular formula C20H46N2O6P2 and a molecular weight of 472.54 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine
PubChem CID151189278
Molecular FormulaC20H46N2O6P2
Molecular Weight472.54 g/mol
Exact Mass472.28
IUPAC Name1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine
SMILESCCCCCCCCOP(=O)(NNP(=O)(OCC)OCC)OCCCCCCCC
InChIInChI=1S/C20H46N2O6P2/c1-5-9-11-13-15-17-19-27-30(24,28-20-18-16-14-12-10-6-2)22-21-29(23,25-7-3)26-8-4/h5-20H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyNFYVLTSKPXMEGO-UHFFFAOYSA-N
XLogP7.12
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;didodecyl ethyl phosphate
CID 170436215
ethyl hexyl phosphate
CID 22057005
1-[ethoxy(ethyl)phosphoryl]oxyheptane
CID 88847628
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
azane;ethyl hexadecyl hydrogen phosphate
CID 174382003
diheptyl propyl phosphate
CID 22497721
alumane;trioctyl phosphate
CID 175071420
potassium tris-decyl phosphate
CID 21118666
dibutyl decyl phosphate
CID 19784867
1-[methyl(octoxy)phosphoryl]oxyoctane
CID 15779
methane;trioctyl phosphate
CID 174464331

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine?
The IUPAC name of 1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine (CID 151189278) is 1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine.
What is the SMILES notation for 1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine?
The canonical SMILES for 1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine is CCCCCCCCOP(=O)(NNP(=O)(OCC)OCC)OCCCCCCCC.
What is the InChIKey of 1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine?
The InChIKey is NFYVLTSKPXMEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46N2O6P2/c1-5-9-11-13-15-17-19-27-30(24,28-20-18-16-14-12-10-6-2)22-21-29(23,25-7-3)26-8-4/h5-20H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine?
1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine has a molecular weight of 472.54 g/mol, XLogP of 7.12, 23 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2-dioctoxyphosphorylhydrazine is sourced from PubChem (CID 151189278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).