di(propanoyloxy)phosphoryl propanoate

C9H15O7P — CID 23615441

IUPACdi(propanoyloxy)phosphoryl propanoate
SMILESCCC(=O)OP(=O)(OC(=O)CC)OC(=O)CC
InChIInChI=1S/C9H15O7P/c1-4-7(10)14-17(13,15-8(11)5-2)16-9(12)6-3/h4-6H2,1-3H3
InChIKeyUTMREHMZCDURAV-UHFFFAOYSA-N
MW266.19 g/mol
LogP1.95
Rot. Bonds6

About di(propanoyloxy)phosphoryl propanoate

di(propanoyloxy)phosphoryl propanoate (PubChem CID 23615441) has the molecular formula C9H15O7P and a molecular weight of 266.19 g/mol. Its IUPAC name is di(propanoyloxy)phosphoryl propanoate.

Molecular Properties

Compound Namedi(propanoyloxy)phosphoryl propanoate
PubChem CID23615441
Molecular FormulaC9H15O7P
Molecular Weight266.19 g/mol
Exact Mass266.06
IUPAC Namedi(propanoyloxy)phosphoryl propanoate
SMILESCCC(=O)OP(=O)(OC(=O)CC)OC(=O)CC
InChIInChI=1S/C9H15O7P/c1-4-7(10)14-17(13,15-8(11)5-2)16-9(12)6-3/h4-6H2,1-3H3
InChIKeyUTMREHMZCDURAV-UHFFFAOYSA-N
XLogP1.95
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

di(butanoyloxy)phosphoryl butanoate
CID 23615252
calcium propanoyl phosphate
CID 141372314
di(octanoyloxy)phosphoryl octanoate
CID 57032543
propanoyl (113C)propanoate
CID 91179573
CID 22966943
CID 22966943
dimethoxyphosphoryl 2-aminoacetate
CID 150492348
tert-butyl propanoate;hydrobromide
CID 172778720
dipropanoyl butanedioate
CID 146216618
diacetyloxyphosphoryl acetate;hydrate
CID 129021524
CID 87773794
CID 87773794
propanoyloxy-λ2-stannane
CID 173456890
methyl propanoate;dihydrochloride
CID 140968159

Frequently Asked Questions

What is the IUPAC name of di(propanoyloxy)phosphoryl propanoate?
The IUPAC name of di(propanoyloxy)phosphoryl propanoate (CID 23615441) is di(propanoyloxy)phosphoryl propanoate.
What is the SMILES notation for di(propanoyloxy)phosphoryl propanoate?
The canonical SMILES for di(propanoyloxy)phosphoryl propanoate is CCC(=O)OP(=O)(OC(=O)CC)OC(=O)CC.
What is the InChIKey of di(propanoyloxy)phosphoryl propanoate?
The InChIKey is UTMREHMZCDURAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O7P/c1-4-7(10)14-17(13,15-8(11)5-2)16-9(12)6-3/h4-6H2,1-3H3.
What are the key properties of di(propanoyloxy)phosphoryl propanoate?
di(propanoyloxy)phosphoryl propanoate has a molecular weight of 266.19 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for di(propanoyloxy)phosphoryl propanoate is sourced from PubChem (CID 23615441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).