1-[(2S)-5-methoxyoxolan-2-yl]ethanone

C7H12O3 — CID 142060538

IUPAC1-[(2S)-5-methoxyoxolan-2-yl]ethanone
SMILESCOC1CC[C@@H](C(C)=O)O1
InChIInChI=1S/C7H12O3/c1-5(8)6-3-4-7(9-2)10-6/h6-7H,3-4H2,1-2H3/t6-,7?/m0/s1
InChIKeyQWQRIMUYNJUBCP-PKPIPKONSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds2

About 1-[(2S)-5-methoxyoxolan-2-yl]ethanone

1-[(2S)-5-methoxyoxolan-2-yl]ethanone (PubChem CID 142060538) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-[(2S)-5-methoxyoxolan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-5-methoxyoxolan-2-yl]ethanone
PubChem CID142060538
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name1-[(2S)-5-methoxyoxolan-2-yl]ethanone
SMILESCOC1CC[C@@H](C(C)=O)O1
InChIInChI=1S/C7H12O3/c1-5(8)6-3-4-7(9-2)10-6/h6-7H,3-4H2,1-2H3/t6-,7?/m0/s1
InChIKeyQWQRIMUYNJUBCP-PKPIPKONSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-5-methoxyoxolan-2-yl]ethanone?
The IUPAC name of 1-[(2S)-5-methoxyoxolan-2-yl]ethanone (CID 142060538) is 1-[(2S)-5-methoxyoxolan-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-5-methoxyoxolan-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-5-methoxyoxolan-2-yl]ethanone is COC1CC[C@@H](C(C)=O)O1.
What is the InChIKey of 1-[(2S)-5-methoxyoxolan-2-yl]ethanone?
The InChIKey is QWQRIMUYNJUBCP-PKPIPKONSA-N. The full InChI is InChI=1S/C7H12O3/c1-5(8)6-3-4-7(9-2)10-6/h6-7H,3-4H2,1-2H3/t6-,7?/m0/s1.
What are the key properties of 1-[(2S)-5-methoxyoxolan-2-yl]ethanone?
1-[(2S)-5-methoxyoxolan-2-yl]ethanone has a molecular weight of 144.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-5-methoxyoxolan-2-yl]ethanone is sourced from PubChem (CID 142060538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).