2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate

C25H51O5P — CID 54560727

IUPAC2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate
SMILESCCCCC(CC)COC(=O)P(=O)(OCC(CC)CCCC)OCC(CC)CCCC
InChIInChI=1S/C25H51O5P/c1-7-13-16-22(10-4)19-28-25(26)31(27,29-20-23(11-5)17-14-8-2)30-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
InChIKeyZQIRQFDCKVKKBE-UHFFFAOYSA-N
MW462.65 g/mol
LogP9.00
Rot. Bonds21

About 2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate

2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate (PubChem CID 54560727) has the molecular formula C25H51O5P and a molecular weight of 462.65 g/mol. Its IUPAC name is 2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate.

Molecular Properties

Compound Name2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate
PubChem CID54560727
Molecular FormulaC25H51O5P
Molecular Weight462.65 g/mol
Exact Mass462.35
IUPAC Name2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate
SMILESCCCCC(CC)COC(=O)P(=O)(OCC(CC)CCCC)OCC(CC)CCCC
InChIInChI=1S/C25H51O5P/c1-7-13-16-22(10-4)19-28-25(26)31(27,29-20-23(11-5)17-14-8-2)30-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
InChIKeyZQIRQFDCKVKKBE-UHFFFAOYSA-N
XLogP9.00
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.65
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl(2-ethylhexoxy)phosphinic acid
CID 57079247
potassium;bis(2-ethylhexyl) phosphate;urea
CID 174839333
CID 87184341
CID 87184341
CID 131883274
CID 131883274
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid
CID 174232121
sodium;2-ethylhexyl dihydrogen phosphate;hydride
CID 173063880
aziridine;bis(2-ethylhexyl) hydrogen phosphate
CID 161127551
2-ethylhexoxy(hexyl)phosphinic acid
CID 141274612
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
bis(2-ethylhexoxy)phosphoryl-cyclohexylmethanone
CID 87699438

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate?
The IUPAC name of 2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate (CID 54560727) is 2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate.
What is the SMILES notation for 2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate?
The canonical SMILES for 2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate is CCCCC(CC)COC(=O)P(=O)(OCC(CC)CCCC)OCC(CC)CCCC.
What is the InChIKey of 2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate?
The InChIKey is ZQIRQFDCKVKKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51O5P/c1-7-13-16-22(10-4)19-28-25(26)31(27,29-20-23(11-5)17-14-8-2)30-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3.
What are the key properties of 2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate?
2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate has a molecular weight of 462.65 g/mol, XLogP of 9.00, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate is sourced from PubChem (CID 54560727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).