[methoxy(methyl)phosphoryl] pentanoate

C7H15O4P — CID 174704014

IUPAC[methoxy(methyl)phosphoryl] pentanoate
SMILESCCCCC(=O)OP(C)(=O)OC
InChIInChI=1S/C7H15O4P/c1-4-5-6-7(8)11-12(3,9)10-2/h4-6H2,1-3H3
InChIKeyANLDPJSIPSILHQ-UHFFFAOYSA-N
MW194.17 g/mol
LogP2.19
Rot. Bonds5

About [methoxy(methyl)phosphoryl] pentanoate

[methoxy(methyl)phosphoryl] pentanoate (PubChem CID 174704014) has the molecular formula C7H15O4P and a molecular weight of 194.17 g/mol. Its IUPAC name is [methoxy(methyl)phosphoryl] pentanoate.

Molecular Properties

Compound Name[methoxy(methyl)phosphoryl] pentanoate
PubChem CID174704014
Molecular FormulaC7H15O4P
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Name[methoxy(methyl)phosphoryl] pentanoate
SMILESCCCCC(=O)OP(C)(=O)OC
InChIInChI=1S/C7H15O4P/c1-4-5-6-7(8)11-12(3,9)10-2/h4-6H2,1-3H3
InChIKeyANLDPJSIPSILHQ-UHFFFAOYSA-N
XLogP2.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 52.19
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

pentanoyl phosphate
CID 149253052
[hydroxy(methoxy)phosphoryl] octadecanoate
CID 172713209
di(octanoyloxy)phosphoryl octanoate
CID 57032543
sodium methyl octadecanoyl phosphate
CID 172713208
[hydroxy(octadecanoyloxy)phosphoryl] octadecanoate
CID 50913067
ethene;phosphono octadecanoate;hydrate
CID 175287151
hydrazine;methyl pentanoate
CID 88709772
trisodium;hydride;phosphono octadecanoate
CID 175375815
potassium;hydride;phosphono decanoate
CID 173362975
fluoro(icosanoyloxy)phosphinic acid
CID 175870939
dipentanoyl hexanedioate
CID 174373362
sodium [methoxy(oxido)phosphinothioyl] dodecanoate
CID 175136514

Frequently Asked Questions

What is the IUPAC name of [methoxy(methyl)phosphoryl] pentanoate?
The IUPAC name of [methoxy(methyl)phosphoryl] pentanoate (CID 174704014) is [methoxy(methyl)phosphoryl] pentanoate.
What is the SMILES notation for [methoxy(methyl)phosphoryl] pentanoate?
The canonical SMILES for [methoxy(methyl)phosphoryl] pentanoate is CCCCC(=O)OP(C)(=O)OC.
What is the InChIKey of [methoxy(methyl)phosphoryl] pentanoate?
The InChIKey is ANLDPJSIPSILHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O4P/c1-4-5-6-7(8)11-12(3,9)10-2/h4-6H2,1-3H3.
What are the key properties of [methoxy(methyl)phosphoryl] pentanoate?
[methoxy(methyl)phosphoryl] pentanoate has a molecular weight of 194.17 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(methyl)phosphoryl] pentanoate is sourced from PubChem (CID 174704014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).