bis(2-butoxyethyl) phosphate

C12H26O6P- — CID 139596269

IUPACbis(2-butoxyethyl) phosphate
SMILESCCCCOCCOP(=O)([O-])OCCOCCCC
InChIInChI=1S/C12H27O6P/c1-3-5-7-15-9-11-17-19(13,14)18-12-10-16-8-6-4-2/h3-12H2,1-2H3,(H,13,14)/p-1
InChIKeyNNXWIPHZHATIFE-UHFFFAOYSA-M
MW297.31 g/mol
LogP2.12
Rot. Bonds14

About bis(2-butoxyethyl) phosphate

bis(2-butoxyethyl) phosphate (PubChem CID 139596269) has the molecular formula C12H26O6P- and a molecular weight of 297.31 g/mol. Its IUPAC name is bis(2-butoxyethyl) phosphate.

Molecular Properties

Compound Namebis(2-butoxyethyl) phosphate
PubChem CID139596269
Molecular FormulaC12H26O6P-
Molecular Weight297.31 g/mol
Exact Mass297.15
IUPAC Namebis(2-butoxyethyl) phosphate
SMILESCCCCOCCOP(=O)([O-])OCCOCCCC
InChIInChI=1S/C12H27O6P/c1-3-5-7-15-9-11-17-19(13,14)18-12-10-16-8-6-4-2/h3-12H2,1-2H3,(H,13,14)/p-1
InChIKeyNNXWIPHZHATIFE-UHFFFAOYSA-M
XLogP2.12
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(2-tridecoxyethoxy)ethyl] phosphate
CID 20977113
magnesium dibutyl phosphate
CID 21400580
butyl propyl phosphate;nickel
CID 88805143
tris(2-butoxyethyl) phosphate
CID 6540
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
dibutyl phosphate;tetramethylphosphanium
CID 87474476
sodium butyl decyl phosphate
CID 174997110
dipentyl phosphate;nickel(2+)
CID 22743882
diicosyl phosphate
CID 21219883
dibutyl phosphate;tetraethylazanium
CID 156853023
2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl hydrogen phosphate
CID 21121356
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl hydrogen phosphate
CID 21116399

Frequently Asked Questions

What is the IUPAC name of bis(2-butoxyethyl) phosphate?
The IUPAC name of bis(2-butoxyethyl) phosphate (CID 139596269) is bis(2-butoxyethyl) phosphate.
What is the SMILES notation for bis(2-butoxyethyl) phosphate?
The canonical SMILES for bis(2-butoxyethyl) phosphate is CCCCOCCOP(=O)([O-])OCCOCCCC.
What is the InChIKey of bis(2-butoxyethyl) phosphate?
The InChIKey is NNXWIPHZHATIFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H27O6P/c1-3-5-7-15-9-11-17-19(13,14)18-12-10-16-8-6-4-2/h3-12H2,1-2H3,(H,13,14)/p-1.
What are the key properties of bis(2-butoxyethyl) phosphate?
bis(2-butoxyethyl) phosphate has a molecular weight of 297.31 g/mol, XLogP of 2.12, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butoxyethyl) phosphate is sourced from PubChem (CID 139596269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).