6-(5-oxohexoxy)-1-benzofuran-3-one

C14H16O4 — CID 62033271

IUPAC6-(5-oxohexoxy)-1-benzofuran-3-one
SMILESCC(=O)CCCCOc1ccc2c(c1)OCC2=O
InChIInChI=1S/C14H16O4/c1-10(15)4-2-3-7-17-11-5-6-12-13(16)9-18-14(12)8-11/h5-6,8H,2-4,7,9H2,1H3
InChIKeyMEOSOUVZNVPSMO-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.40
Rot. Bonds6

About 6-(5-oxohexoxy)-1-benzofuran-3-one

6-(5-oxohexoxy)-1-benzofuran-3-one (PubChem CID 62033271) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 6-(5-oxohexoxy)-1-benzofuran-3-one.

Molecular Properties

Compound Name6-(5-oxohexoxy)-1-benzofuran-3-one
PubChem CID62033271
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name6-(5-oxohexoxy)-1-benzofuran-3-one
SMILESCC(=O)CCCCOc1ccc2c(c1)OCC2=O
InChIInChI=1S/C14H16O4/c1-10(15)4-2-3-7-17-11-5-6-12-13(16)9-18-14(12)8-11/h5-6,8H,2-4,7,9H2,1H3
InChIKeyMEOSOUVZNVPSMO-UHFFFAOYSA-N
XLogP2.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoic acid
CID 16776711
ethyl 3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoate
CID 43516984
N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63094835
6-(3,3-dimethylbutoxy)-1-benzofuran-3-one
CID 55025234
6-(2-oxopentoxy)-1-benzofuran-3-one
CID 62042964
2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
CID 60772542
6-(2-propoxyethoxy)-1-benzofuran-3-one
CID 106452922
6-pent-3-ynoxy-1-benzofuran-3-one
CID 104807818
6-(3-methyl-2-oxobutoxy)-1-benzofuran-3-one
CID 79395503
6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one
CID 66474358
2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide
CID 60772248
6-(3-oxobutan-2-yloxy)-1-benzofuran-3-one
CID 62033452

Frequently Asked Questions

What is the IUPAC name of 6-(5-oxohexoxy)-1-benzofuran-3-one?
The IUPAC name of 6-(5-oxohexoxy)-1-benzofuran-3-one (CID 62033271) is 6-(5-oxohexoxy)-1-benzofuran-3-one.
What is the SMILES notation for 6-(5-oxohexoxy)-1-benzofuran-3-one?
The canonical SMILES for 6-(5-oxohexoxy)-1-benzofuran-3-one is CC(=O)CCCCOc1ccc2c(c1)OCC2=O.
What is the InChIKey of 6-(5-oxohexoxy)-1-benzofuran-3-one?
The InChIKey is MEOSOUVZNVPSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-10(15)4-2-3-7-17-11-5-6-12-13(16)9-18-14(12)8-11/h5-6,8H,2-4,7,9H2,1H3.
What are the key properties of 6-(5-oxohexoxy)-1-benzofuran-3-one?
6-(5-oxohexoxy)-1-benzofuran-3-one has a molecular weight of 248.28 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-oxohexoxy)-1-benzofuran-3-one is sourced from PubChem (CID 62033271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).