5-(3-dimethoxyphosphorylpropoxy)pentan-2-one

C10H21O5P — CID 58849456

IUPAC5-(3-dimethoxyphosphorylpropoxy)pentan-2-one
SMILESCOP(=O)(CCCOCCCC(C)=O)OC
InChIInChI=1S/C10H21O5P/c1-10(11)6-4-7-15-8-5-9-16(12,13-2)14-3/h4-9H2,1-3H3
InChIKeyPXIAUAHQPIBPQG-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.25
Rot. Bonds10

About 5-(3-dimethoxyphosphorylpropoxy)pentan-2-one

5-(3-dimethoxyphosphorylpropoxy)pentan-2-one (PubChem CID 58849456) has the molecular formula C10H21O5P and a molecular weight of 252.25 g/mol. Its IUPAC name is 5-(3-dimethoxyphosphorylpropoxy)pentan-2-one.

Molecular Properties

Compound Name5-(3-dimethoxyphosphorylpropoxy)pentan-2-one
PubChem CID58849456
Molecular FormulaC10H21O5P
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Name5-(3-dimethoxyphosphorylpropoxy)pentan-2-one
SMILESCOP(=O)(CCCOCCCC(C)=O)OC
InChIInChI=1S/C10H21O5P/c1-10(11)6-4-7-15-8-5-9-16(12,13-2)14-3/h4-9H2,1-3H3
InChIKeyPXIAUAHQPIBPQG-UHFFFAOYSA-N
XLogP2.25
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-dimethoxyphosphorylpropoxy)pentan-2-one?
The IUPAC name of 5-(3-dimethoxyphosphorylpropoxy)pentan-2-one (CID 58849456) is 5-(3-dimethoxyphosphorylpropoxy)pentan-2-one.
What is the SMILES notation for 5-(3-dimethoxyphosphorylpropoxy)pentan-2-one?
The canonical SMILES for 5-(3-dimethoxyphosphorylpropoxy)pentan-2-one is COP(=O)(CCCOCCCC(C)=O)OC.
What is the InChIKey of 5-(3-dimethoxyphosphorylpropoxy)pentan-2-one?
The InChIKey is PXIAUAHQPIBPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O5P/c1-10(11)6-4-7-15-8-5-9-16(12,13-2)14-3/h4-9H2,1-3H3.
What are the key properties of 5-(3-dimethoxyphosphorylpropoxy)pentan-2-one?
5-(3-dimethoxyphosphorylpropoxy)pentan-2-one has a molecular weight of 252.25 g/mol, XLogP of 2.25, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-dimethoxyphosphorylpropoxy)pentan-2-one is sourced from PubChem (CID 58849456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).