1-[3-(hydroxymethyl)oxolan-3-yl]ethanone

C7H12O3 — CID 175513547

IUPAC1-[3-(hydroxymethyl)oxolan-3-yl]ethanone
SMILESCC(=O)C1(CO)CCOC1
InChIInChI=1S/C7H12O3/c1-6(9)7(4-8)2-3-10-5-7/h8H,2-5H2,1H3
InChIKeyOSWFOYYTDDJZDF-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.03
Rot. Bonds2

About 1-[3-(hydroxymethyl)oxolan-3-yl]ethanone

1-[3-(hydroxymethyl)oxolan-3-yl]ethanone (PubChem CID 175513547) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)oxolan-3-yl]ethanone
PubChem CID175513547
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name1-[3-(hydroxymethyl)oxolan-3-yl]ethanone
SMILESCC(=O)C1(CO)CCOC1
InChIInChI=1S/C7H12O3/c1-6(9)7(4-8)2-3-10-5-7/h8H,2-5H2,1H3
InChIKeyOSWFOYYTDDJZDF-UHFFFAOYSA-N
XLogP-0.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyloxolane-3-carboxylic acid
CID 62740785
3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
CID 106322960
3-dodecyloxolane-3-carboxylic acid
CID 63402957
3-(3-methylbut-3-enyl)oxolane-3-carboxylic acid
CID 114473272
3-(methylsulfanylmethyl)oxolane-3-carboxylic acid
CID 84655667
3-(2,2-dimethylpropyl)oxolane-3-carboxylic acid
CID 83817567
CID 58245624
CID 58245624
3-(2-ethylsulfonylethyl)oxolane-3-carboxylic acid
CID 62740969
1-[3-(aminomethyl)oxetan-3-yl]ethanone
CID 116922670
3-[[bis(3-methylbutyl)amino]methyl]oxolane-3-carboxylic acid
CID 107871177
1-(3-aminooxolan-3-yl)ethanone
CID 59621130
3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid
CID 165463327

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)oxolan-3-yl]ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)oxolan-3-yl]ethanone (CID 175513547) is 1-[3-(hydroxymethyl)oxolan-3-yl]ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)oxolan-3-yl]ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)oxolan-3-yl]ethanone is CC(=O)C1(CO)CCOC1.
What is the InChIKey of 1-[3-(hydroxymethyl)oxolan-3-yl]ethanone?
The InChIKey is OSWFOYYTDDJZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-6(9)7(4-8)2-3-10-5-7/h8H,2-5H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)oxolan-3-yl]ethanone?
1-[3-(hydroxymethyl)oxolan-3-yl]ethanone has a molecular weight of 144.17 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)oxolan-3-yl]ethanone is sourced from PubChem (CID 175513547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).