potassium tris-decyl phosphate

C30H63KO4P+ — CID 21118666

IUPACpotassium tris-decyl phosphate
SMILESCCCCCCCCCCOP(=O)(OCCCCCCCCCC)OCCCCCCCCCC.[K+]
InChIInChI=1S/C30H63O4P.K/c1-4-7-10-13-16-19-22-25-28-32-35(31,33-29-26-23-20-17-14-11-8-5-2)34-30-27-24-21-18-15-12-9-6-3;/h4-30H2,1-3H3;/q;+1
InChIKeyYXPOMBSTVYCYEY-UHFFFAOYSA-N
MW557.90 g/mol
LogP8.57
Rot. Bonds30

About potassium tris-decyl phosphate

potassium tris-decyl phosphate (PubChem CID 21118666) has the molecular formula C30H63KO4P+ and a molecular weight of 557.90 g/mol. Its IUPAC name is potassium tris-decyl phosphate.

Molecular Properties

Compound Namepotassium tris-decyl phosphate
PubChem CID21118666
Molecular FormulaC30H63KO4P+
Molecular Weight557.90 g/mol
Exact Mass557.41
IUPAC Namepotassium tris-decyl phosphate
SMILESCCCCCCCCCCOP(=O)(OCCCCCCCCCC)OCCCCCCCCCC.[K+]
InChIInChI=1S/C30H63O4P.K/c1-4-7-10-13-16-19-22-25-28-32-35(31,33-29-26-23-20-17-14-11-8-5-2)34-30-27-24-21-18-15-12-9-6-3;/h4-30H2,1-3H3;/q;+1
InChIKeyYXPOMBSTVYCYEY-UHFFFAOYSA-N
XLogP8.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.90
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
diheptyl propyl phosphate
CID 22497721
methane;trioctyl phosphate
CID 174464331
alumane;trioctyl phosphate
CID 175071420
dibutyl decyl phosphate
CID 19784867
butyl dihexyl phosphate
CID 22497695
azane;didodecyl ethyl phosphate
CID 170436215
tris(3-pentadecoxypropyl) phosphate
CID 126525532
bis(2-bromoethyl) undecyl phosphate
CID 54074292
2-hydroxyethyl ditridecyl phosphate
CID 86141691
decyl 2-hydroxyethyl propyl phosphate
CID 151935129

Frequently Asked Questions

What is the IUPAC name of potassium tris-decyl phosphate?
The IUPAC name of potassium tris-decyl phosphate (CID 21118666) is potassium tris-decyl phosphate.
What is the SMILES notation for potassium tris-decyl phosphate?
The canonical SMILES for potassium tris-decyl phosphate is CCCCCCCCCCOP(=O)(OCCCCCCCCCC)OCCCCCCCCCC.[K+].
What is the InChIKey of potassium tris-decyl phosphate?
The InChIKey is YXPOMBSTVYCYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63O4P.K/c1-4-7-10-13-16-19-22-25-28-32-35(31,33-29-26-23-20-17-14-11-8-5-2)34-30-27-24-21-18-15-12-9-6-3;/h4-30H2,1-3H3;/q;+1.
What are the key properties of potassium tris-decyl phosphate?
potassium tris-decyl phosphate has a molecular weight of 557.90 g/mol, XLogP of 8.57, 30 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium tris-decyl phosphate is sourced from PubChem (CID 21118666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).