methoxymethanone;triphenylphosphane;diacetate

C24H24O6P-3 — CID 160722488

IUPACmethoxymethanone;triphenylphosphane;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CO[C-]=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C2H3O2.2C2H4O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-2-3;2*1-2(3)4/h1-15H;1H3;2*1H3,(H,3,4)/q;-1;;/p-2
InChIKeyDBSORHFVIGNJLV-UHFFFAOYSA-L
MW439.42 g/mol
LogP0.66
Rot. Bonds4

About methoxymethanone;triphenylphosphane;diacetate

methoxymethanone;triphenylphosphane;diacetate (PubChem CID 160722488) has the molecular formula C24H24O6P-3 and a molecular weight of 439.42 g/mol. Its IUPAC name is methoxymethanone;triphenylphosphane;diacetate.

Molecular Properties

Compound Namemethoxymethanone;triphenylphosphane;diacetate
PubChem CID160722488
Molecular FormulaC24H24O6P-3
Molecular Weight439.42 g/mol
Exact Mass439.13
IUPAC Namemethoxymethanone;triphenylphosphane;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CO[C-]=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C2H3O2.2C2H4O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-2-3;2*1-2(3)4/h1-15H;1H3;2*1H3,(H,3,4)/q;-1;;/p-2
InChIKeyDBSORHFVIGNJLV-UHFFFAOYSA-L
XLogP0.66
TPSA106.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxymethanone;triphenylphosphane;diacetate?
The IUPAC name of methoxymethanone;triphenylphosphane;diacetate (CID 160722488) is methoxymethanone;triphenylphosphane;diacetate.
What is the SMILES notation for methoxymethanone;triphenylphosphane;diacetate?
The canonical SMILES for methoxymethanone;triphenylphosphane;diacetate is CC(=O)[O-].CC(=O)[O-].CO[C-]=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methoxymethanone;triphenylphosphane;diacetate?
The InChIKey is DBSORHFVIGNJLV-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H15P.C2H3O2.2C2H4O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-2-3;2*1-2(3)4/h1-15H;1H3;2*1H3,(H,3,4)/q;-1;;/p-2.
What are the key properties of methoxymethanone;triphenylphosphane;diacetate?
methoxymethanone;triphenylphosphane;diacetate has a molecular weight of 439.42 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethanone;triphenylphosphane;diacetate is sourced from PubChem (CID 160722488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).