tris(butoxymethyl) phosphate

C15H33O7P — CID 22620630

IUPACtris(butoxymethyl) phosphate
SMILESCCCCOCOP(=O)(OCOCCCC)OCOCCCC
InChIInChI=1S/C15H33O7P/c1-4-7-10-17-13-20-23(16,21-14-18-11-8-5-2)22-15-19-12-9-6-3/h4-15H2,1-3H3
InChIKeyLZNNNFLINXJEIL-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.47
Rot. Bonds18

About tris(butoxymethyl) phosphate

tris(butoxymethyl) phosphate (PubChem CID 22620630) has the molecular formula C15H33O7P and a molecular weight of 356.40 g/mol. Its IUPAC name is tris(butoxymethyl) phosphate.

Molecular Properties

Compound Nametris(butoxymethyl) phosphate
PubChem CID22620630
Molecular FormulaC15H33O7P
Molecular Weight356.40 g/mol
Exact Mass356.20
IUPAC Nametris(butoxymethyl) phosphate
SMILESCCCCOCOP(=O)(OCOCCCC)OCOCCCC
InChIInChI=1S/C15H33O7P/c1-4-7-10-17-13-20-23(16,21-14-18-11-8-5-2)22-15-19-12-9-6-3/h4-15H2,1-3H3
InChIKeyLZNNNFLINXJEIL-UHFFFAOYSA-N
XLogP4.47
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tris(2-butoxyethyl) phosphate
CID 6540
terbium;tributyl phosphate
CID 90187591
tributyl phosphate;trihydrochloride
CID 173157313
europium;tributyl phosphate
CID 90187569
benzene;tributyl phosphate
CID 69440959
dibutyl decyl phosphate
CID 19784867
butyl dihexyl phosphate
CID 22497695
tris(3-pentadecoxypropyl) phosphate
CID 126525532
4-[butoxymethyl(propoxy)phosphoryl]oxybutyl dibutyl phosphate
CID 169438153
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
bis(2-aminoethyl) butyl phosphate
CID 3023662

Frequently Asked Questions

What is the IUPAC name of tris(butoxymethyl) phosphate?
The IUPAC name of tris(butoxymethyl) phosphate (CID 22620630) is tris(butoxymethyl) phosphate.
What is the SMILES notation for tris(butoxymethyl) phosphate?
The canonical SMILES for tris(butoxymethyl) phosphate is CCCCOCOP(=O)(OCOCCCC)OCOCCCC.
What is the InChIKey of tris(butoxymethyl) phosphate?
The InChIKey is LZNNNFLINXJEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O7P/c1-4-7-10-17-13-20-23(16,21-14-18-11-8-5-2)22-15-19-12-9-6-3/h4-15H2,1-3H3.
What are the key properties of tris(butoxymethyl) phosphate?
tris(butoxymethyl) phosphate has a molecular weight of 356.40 g/mol, XLogP of 4.47, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butoxymethyl) phosphate is sourced from PubChem (CID 22620630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).