1-(5-acetyloxolan-2-yl)ethanone

C8H12O3 — CID 123648295

IUPAC1-(5-acetyloxolan-2-yl)ethanone
SMILESCC(=O)C1CCC(C(C)=O)O1
InChIInChI=1S/C8H12O3/c1-5(9)7-3-4-8(11-7)6(2)10/h7-8H,3-4H2,1-2H3
InChIKeyFYJQJFVJBCUCQS-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.71
Rot. Bonds2

About 1-(5-acetyloxolan-2-yl)ethanone

1-(5-acetyloxolan-2-yl)ethanone (PubChem CID 123648295) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-(5-acetyloxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-acetyloxolan-2-yl)ethanone
PubChem CID123648295
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1-(5-acetyloxolan-2-yl)ethanone
SMILESCC(=O)C1CCC(C(C)=O)O1
InChIInChI=1S/C8H12O3/c1-5(9)7-3-4-8(11-7)6(2)10/h7-8H,3-4H2,1-2H3
InChIKeyFYJQJFVJBCUCQS-UHFFFAOYSA-N
XLogP0.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(chloromethyl)oxolan-2-yl]ethanone
CID 158285804
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
1-[5-(2-methoxyethoxymethyl)oxolan-2-yl]ethanone
CID 159269856
CID 168919655
CID 168919655
(2R)-5-methyloxolane-2-carboxylic acid
CID 58055098
(2S,5S)-5-carbamoyloxolane-2-carboxylic acid
CID 97358936
(2S,6R)-oxane-2,6-dicarboxylic acid
CID 22804348
(2R,5S)-5-(4-acetyl-1,4-diazepane-1-carbonyl)oxolane-2-carboxylic acid
CID 102945101
1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone
CID 70591269
[(2S,3R,4R,6R)-6-acetyl-2-acetyloxy-3-bromooxan-4-yl] acetate
CID 100920804
1-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethanone
CID 11031862
(2R,5S)-5-[cyclopropyl(methyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944218

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyloxolan-2-yl)ethanone?
The IUPAC name of 1-(5-acetyloxolan-2-yl)ethanone (CID 123648295) is 1-(5-acetyloxolan-2-yl)ethanone.
What is the SMILES notation for 1-(5-acetyloxolan-2-yl)ethanone?
The canonical SMILES for 1-(5-acetyloxolan-2-yl)ethanone is CC(=O)C1CCC(C(C)=O)O1.
What is the InChIKey of 1-(5-acetyloxolan-2-yl)ethanone?
The InChIKey is FYJQJFVJBCUCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-5(9)7-3-4-8(11-7)6(2)10/h7-8H,3-4H2,1-2H3.
What are the key properties of 1-(5-acetyloxolan-2-yl)ethanone?
1-(5-acetyloxolan-2-yl)ethanone has a molecular weight of 156.18 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyloxolan-2-yl)ethanone is sourced from PubChem (CID 123648295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).