di(octanoyloxy)phosphoryl octanoate

C24H45O7P — CID 57032543

IUPACdi(octanoyloxy)phosphoryl octanoate
SMILESCCCCCCCC(=O)OP(=O)(OC(=O)CCCCCCC)OC(=O)CCCCCCC
InChIInChI=1S/C24H45O7P/c1-4-7-10-13-16-19-22(25)29-32(28,30-23(26)20-17-14-11-8-5-2)31-24(27)21-18-15-12-9-6-3/h4-21H2,1-3H3
InChIKeyMXARWLWUZWBTHW-UHFFFAOYSA-N
MW476.59 g/mol
LogP7.81
Rot. Bonds21

About di(octanoyloxy)phosphoryl octanoate

di(octanoyloxy)phosphoryl octanoate (PubChem CID 57032543) has the molecular formula C24H45O7P and a molecular weight of 476.59 g/mol. Its IUPAC name is di(octanoyloxy)phosphoryl octanoate.

Molecular Properties

Compound Namedi(octanoyloxy)phosphoryl octanoate
PubChem CID57032543
Molecular FormulaC24H45O7P
Molecular Weight476.59 g/mol
Exact Mass476.29
IUPAC Namedi(octanoyloxy)phosphoryl octanoate
SMILESCCCCCCCC(=O)OP(=O)(OC(=O)CCCCCCC)OC(=O)CCCCCCC
InChIInChI=1S/C24H45O7P/c1-4-7-10-13-16-19-22(25)29-32(28,30-23(26)20-17-14-11-8-5-2)31-24(27)21-18-15-12-9-6-3/h4-21H2,1-3H3
InChIKeyMXARWLWUZWBTHW-UHFFFAOYSA-N
XLogP7.81
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.59
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

[hydroxy(octadecanoyloxy)phosphoryl] octadecanoate
CID 50913067
fluoro(icosanoyloxy)phosphinic acid
CID 175870939
potassium;hydride;phosphono decanoate
CID 173362975
trisodium;hydride;phosphono octadecanoate
CID 175375815
di(butanoyloxy)phosphoryl butanoate
CID 23615252
[hydroxy(methoxy)phosphoryl] octadecanoate
CID 172713209
ethene;phosphono octadecanoate;hydrate
CID 175287151
[[(2R)-2,3-dihydroxypropoxy]-hexadecanoyloxyphosphoryl] hexadecanoate
CID 175855970
[2-hydroxyethyl(octadecanoyloxy)phosphoryl] octadecanoate
CID 87607086
[hydroxy(phosphonooxy)phosphoryl] octadecanoate
CID 175419866
bis(6-methylheptoxy)phosphoryl octadecanoate
CID 174694628
sodium methyl octadecanoyl phosphate
CID 172713208

Frequently Asked Questions

What is the IUPAC name of di(octanoyloxy)phosphoryl octanoate?
The IUPAC name of di(octanoyloxy)phosphoryl octanoate (CID 57032543) is di(octanoyloxy)phosphoryl octanoate.
What is the SMILES notation for di(octanoyloxy)phosphoryl octanoate?
The canonical SMILES for di(octanoyloxy)phosphoryl octanoate is CCCCCCCC(=O)OP(=O)(OC(=O)CCCCCCC)OC(=O)CCCCCCC.
What is the InChIKey of di(octanoyloxy)phosphoryl octanoate?
The InChIKey is MXARWLWUZWBTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45O7P/c1-4-7-10-13-16-19-22(25)29-32(28,30-23(26)20-17-14-11-8-5-2)31-24(27)21-18-15-12-9-6-3/h4-21H2,1-3H3.
What are the key properties of di(octanoyloxy)phosphoryl octanoate?
di(octanoyloxy)phosphoryl octanoate has a molecular weight of 476.59 g/mol, XLogP of 7.81, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for di(octanoyloxy)phosphoryl octanoate is sourced from PubChem (CID 57032543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).