4-[(dimethylamino)methoxy]oxan-2-one

C8H15NO3 — CID 162087225

IUPAC4-[(dimethylamino)methoxy]oxan-2-one
SMILESCN(C)COC1CCOC(=O)C1
InChIInChI=1S/C8H15NO3/c1-9(2)6-12-7-3-4-11-8(10)5-7/h7H,3-6H2,1-2H3
InChIKeyORYCBLHVSHXIPA-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.23
Rot. Bonds3

About 4-[(dimethylamino)methoxy]oxan-2-one

4-[(dimethylamino)methoxy]oxan-2-one (PubChem CID 162087225) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 4-[(dimethylamino)methoxy]oxan-2-one.

Molecular Properties

Compound Name4-[(dimethylamino)methoxy]oxan-2-one
PubChem CID162087225
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name4-[(dimethylamino)methoxy]oxan-2-one
SMILESCN(C)COC1CCOC(=O)C1
InChIInChI=1S/C8H15NO3/c1-9(2)6-12-7-3-4-11-8(10)5-7/h7H,3-6H2,1-2H3
InChIKeyORYCBLHVSHXIPA-UHFFFAOYSA-N
XLogP0.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methoxy]oxan-2-one?
The IUPAC name of 4-[(dimethylamino)methoxy]oxan-2-one (CID 162087225) is 4-[(dimethylamino)methoxy]oxan-2-one.
What is the SMILES notation for 4-[(dimethylamino)methoxy]oxan-2-one?
The canonical SMILES for 4-[(dimethylamino)methoxy]oxan-2-one is CN(C)COC1CCOC(=O)C1.
What is the InChIKey of 4-[(dimethylamino)methoxy]oxan-2-one?
The InChIKey is ORYCBLHVSHXIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9(2)6-12-7-3-4-11-8(10)5-7/h7H,3-6H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methoxy]oxan-2-one?
4-[(dimethylamino)methoxy]oxan-2-one has a molecular weight of 173.21 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methoxy]oxan-2-one is sourced from PubChem (CID 162087225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).