dipropoxyphosphoryl hydrogen carbonate

C7H15O6P — CID 175546987

IUPACdipropoxyphosphoryl hydrogen carbonate
SMILESCCCOP(=O)(OCCC)OC(=O)O
InChIInChI=1S/C7H15O6P/c1-3-5-11-14(10,12-6-4-2)13-7(8)9/h3-6H2,1-2H3,(H,8,9)
InChIKeyPGRFZVWYHLJJJT-UHFFFAOYSA-N
MW226.16 g/mol
LogP2.64
Rot. Bonds7

About dipropoxyphosphoryl hydrogen carbonate

dipropoxyphosphoryl hydrogen carbonate (PubChem CID 175546987) has the molecular formula C7H15O6P and a molecular weight of 226.16 g/mol. Its IUPAC name is dipropoxyphosphoryl hydrogen carbonate.

Molecular Properties

Compound Namedipropoxyphosphoryl hydrogen carbonate
PubChem CID175546987
Molecular FormulaC7H15O6P
Molecular Weight226.16 g/mol
Exact Mass226.06
IUPAC Namedipropoxyphosphoryl hydrogen carbonate
SMILESCCCOP(=O)(OCCC)OC(=O)O
InChIInChI=1S/C7H15O6P/c1-3-5-11-14(10,12-6-4-2)13-7(8)9/h3-6H2,1-2H3,(H,8,9)
InChIKeyPGRFZVWYHLJJJT-UHFFFAOYSA-N
XLogP2.64
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1,3-dichloroprop-1-en-2-yl] dipropyl phosphate
CID 15584602
diiodo propyl phosphate
CID 175578929
bis(carbamoylamino) propyl phosphate
CID 88818411
[3-hydroxypropoxy-(tetradecanoylamino)oxyphosphoryl] hydrogen carbonate
CID 141196379
dimethyl propyl phosphate;octadecanamide
CID 161011804
[ethoxy(hydroxy)phosphoryl] dipropyl phosphate
CID 89297005
3-dipropoxyphosphorylpropanoic acid
CID 34250012
propyl dihydrogen phosphate;urea
CID 88818408
benzene;tributyl phosphate
CID 69440959
diheptyl propyl phosphate
CID 22497721
octadecanoic acid;trioctyl phosphate
CID 87588558
dodecyl hydroxy propyl phosphate
CID 21291111

Frequently Asked Questions

What is the IUPAC name of dipropoxyphosphoryl hydrogen carbonate?
The IUPAC name of dipropoxyphosphoryl hydrogen carbonate (CID 175546987) is dipropoxyphosphoryl hydrogen carbonate.
What is the SMILES notation for dipropoxyphosphoryl hydrogen carbonate?
The canonical SMILES for dipropoxyphosphoryl hydrogen carbonate is CCCOP(=O)(OCCC)OC(=O)O.
What is the InChIKey of dipropoxyphosphoryl hydrogen carbonate?
The InChIKey is PGRFZVWYHLJJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O6P/c1-3-5-11-14(10,12-6-4-2)13-7(8)9/h3-6H2,1-2H3,(H,8,9).
What are the key properties of dipropoxyphosphoryl hydrogen carbonate?
dipropoxyphosphoryl hydrogen carbonate has a molecular weight of 226.16 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropoxyphosphoryl hydrogen carbonate is sourced from PubChem (CID 175546987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).