tripropyl phosphate

C9H21O4P — CID 10546

IUPACtripropyl phosphate
SMILESCCCOP(=O)(OCCC)OCCC
InChIInChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3
InChIKeyRXPQRKFMDQNODS-UHFFFAOYSA-N
MW224.24 g/mol
LogP3.37
Rot. Bonds9

About tripropyl phosphate

tripropyl phosphate (PubChem CID 10546) has the molecular formula C9H21O4P and a molecular weight of 224.24 g/mol. Its IUPAC name is tripropyl phosphate.

Molecular Properties

Compound Nametripropyl phosphate
PubChem CID10546
Molecular FormulaC9H21O4P
Molecular Weight224.24 g/mol
Exact Mass224.12
IUPAC Nametripropyl phosphate
SMILESCCCOP(=O)(OCCC)OCCC
InChIInChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3
InChIKeyRXPQRKFMDQNODS-UHFFFAOYSA-N
XLogP3.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tetraethyl Pyrophosphate
CID 7873
Tributyl Phosphate
CID 31357
Triethyl Phosphate
CID 6535
Triisobutyl phosphate
CID 31355
Dibutyl hydrogen phosphite
CID 6327349
Dibutyl phosphate
CID 7881
Dibutyl butylphosphonate
CID 6539
Tetraisopropyl methylenediphosphonate
CID 74266
Hexaethyltetraphosphate
CID 12960
Diphosphoric acid, tetrabutyl ester
CID 73861
Tetraethyl methylenediphosphonate
CID 15455
Tripentyl phosphate
CID 75665

Frequently Asked Questions

What is the IUPAC name of tripropyl phosphate?
The IUPAC name of tripropyl phosphate (CID 10546) is tripropyl phosphate.
What is the SMILES notation for tripropyl phosphate?
The canonical SMILES for tripropyl phosphate is CCCOP(=O)(OCCC)OCCC.
What is the InChIKey of tripropyl phosphate?
The InChIKey is RXPQRKFMDQNODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3.
What are the key properties of tripropyl phosphate?
tripropyl phosphate has a molecular weight of 224.24 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tripropyl phosphate is sourced from PubChem (CID 10546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).