1-(4-methoxyoxan-4-yl)-2-propoxyethanone

C11H20O4 — CID 116748657

IUPAC1-(4-methoxyoxan-4-yl)-2-propoxyethanone
SMILESCCCOCC(=O)C1(OC)CCOCC1
InChIInChI=1S/C11H20O4/c1-3-6-15-9-10(12)11(13-2)4-7-14-8-5-11/h3-9H2,1-2H3
InChIKeyGOLUZVSVTSDDJL-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.18
Rot. Bonds6

About 1-(4-methoxyoxan-4-yl)-2-propoxyethanone

1-(4-methoxyoxan-4-yl)-2-propoxyethanone (PubChem CID 116748657) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)-2-propoxyethanone
PubChem CID116748657
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name1-(4-methoxyoxan-4-yl)-2-propoxyethanone
SMILESCCCOCC(=O)C1(OC)CCOCC1
InChIInChI=1S/C11H20O4/c1-3-6-15-9-10(12)11(13-2)4-7-14-8-5-11/h3-9H2,1-2H3
InChIKeyGOLUZVSVTSDDJL-UHFFFAOYSA-N
XLogP1.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.18
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

1-(4-methoxyoxan-4-yl)hexan-1-one
CID 116748600
4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid
CID 116774915
1-(4-propoxyoxan-4-yl)propan-1-one
CID 83226055
N-[4-(bromomethyl)oxan-4-yl]-2-propoxyacetamide
CID 106301018
1-(1-hydroxycyclopentyl)-2-propoxyethanone
CID 103447635
1-(4-methoxyoxan-4-yl)pent-3-yn-1-one
CID 116748548
1-(4-methoxyoxan-4-yl)-2-(oxan-4-yl)ethanone
CID 116748604
1-(4-methoxyoxan-4-yl)-4,4-dimethylpentan-1-one
CID 116748551
4-(propoxymethyl)oxan-4-ol
CID 79568343
1-(4-methoxyoxan-4-yl)pent-4-en-1-one
CID 116748516
1-(4-aminooxan-4-yl)-2-ethoxyethanone
CID 116604519
2-methoxy-1-(1-methoxycyclopentyl)ethanone
CID 104610256

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)-2-propoxyethanone?
The IUPAC name of 1-(4-methoxyoxan-4-yl)-2-propoxyethanone (CID 116748657) is 1-(4-methoxyoxan-4-yl)-2-propoxyethanone.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)-2-propoxyethanone?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)-2-propoxyethanone is CCCOCC(=O)C1(OC)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)-2-propoxyethanone?
The InChIKey is GOLUZVSVTSDDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-6-15-9-10(12)11(13-2)4-7-14-8-5-11/h3-9H2,1-2H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)-2-propoxyethanone?
1-(4-methoxyoxan-4-yl)-2-propoxyethanone has a molecular weight of 216.28 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)-2-propoxyethanone is sourced from PubChem (CID 116748657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).