tris(2-butoxyethyl) phosphate

C18H39O7P — CID 6540

IUPACtris(2-butoxyethyl) phosphate
SMILESCCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
InChIInChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3
InChIKeyWTLBZVNBAKMVDP-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.59
Rot. Bonds21

About tris(2-butoxyethyl) phosphate

tris(2-butoxyethyl) phosphate (PubChem CID 6540) has the molecular formula C18H39O7P and a molecular weight of 398.48 g/mol. Its IUPAC name is tris(2-butoxyethyl) phosphate.

Molecular Properties

Compound Nametris(2-butoxyethyl) phosphate
PubChem CID6540
Molecular FormulaC18H39O7P
Molecular Weight398.48 g/mol
Exact Mass398.24
IUPAC Nametris(2-butoxyethyl) phosphate
SMILESCCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
InChIInChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3
InChIKeyWTLBZVNBAKMVDP-UHFFFAOYSA-N
XLogP4.59
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

terbium;tributyl phosphate
CID 90187591
tributyl phosphate;trihydrochloride
CID 173157313
europium;tributyl phosphate
CID 90187569
bis(2-butoxyethyl) phosphate
CID 139596269
tris(3-pentadecoxypropyl) phosphate
CID 126525532
bis(2-butoxyethyl) 2-(4-hydroperoxy-3-oxobutoxy)ethyl phosphate
CID 165361341
tris(butoxymethyl) phosphate
CID 22620630
bis(2-butoxyethyl) 2-(2,3,4-trioxobutoxy)ethyl phosphate
CID 165361343
benzene;tributyl phosphate
CID 69440959
dibutyl decyl phosphate
CID 19784867
butyl dihexyl phosphate
CID 22497695
4-[butoxymethyl(propoxy)phosphoryl]oxybutyl dibutyl phosphate
CID 169438153

Frequently Asked Questions

What is the IUPAC name of tris(2-butoxyethyl) phosphate?
The IUPAC name of tris(2-butoxyethyl) phosphate (CID 6540) is tris(2-butoxyethyl) phosphate.
What is the SMILES notation for tris(2-butoxyethyl) phosphate?
The canonical SMILES for tris(2-butoxyethyl) phosphate is CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC.
What is the InChIKey of tris(2-butoxyethyl) phosphate?
The InChIKey is WTLBZVNBAKMVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3.
What are the key properties of tris(2-butoxyethyl) phosphate?
tris(2-butoxyethyl) phosphate has a molecular weight of 398.48 g/mol, XLogP of 4.59, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-butoxyethyl) phosphate is sourced from PubChem (CID 6540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).