1-(4-methoxyoxan-4-yl)ethanone

C8H14O3 — CID 45086119

IUPAC1-(4-methoxyoxan-4-yl)ethanone
SMILESCOC1(C(C)=O)CCOCC1
InChIInChI=1S/C8H14O3/c1-7(9)8(10-2)3-5-11-6-4-8/h3-6H2,1-2H3
InChIKeyYPZDAFACMMEUCG-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.77
Rot. Bonds2

About 1-(4-methoxyoxan-4-yl)ethanone

1-(4-methoxyoxan-4-yl)ethanone (PubChem CID 45086119) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)ethanone
PubChem CID45086119
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-(4-methoxyoxan-4-yl)ethanone
SMILESCOC1(C(C)=O)CCOCC1
InChIInChI=1S/C8H14O3/c1-7(9)8(10-2)3-5-11-6-4-8/h3-6H2,1-2H3
InChIKeyYPZDAFACMMEUCG-UHFFFAOYSA-N
XLogP0.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)ethanone?
The IUPAC name of 1-(4-methoxyoxan-4-yl)ethanone (CID 45086119) is 1-(4-methoxyoxan-4-yl)ethanone.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)ethanone?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)ethanone is COC1(C(C)=O)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)ethanone?
The InChIKey is YPZDAFACMMEUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-7(9)8(10-2)3-5-11-6-4-8/h3-6H2,1-2H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)ethanone?
1-(4-methoxyoxan-4-yl)ethanone has a molecular weight of 158.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)ethanone is sourced from PubChem (CID 45086119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).