[(2S)-oxolan-2-yl]methyl acetate

C7H12O3 — CID 7224985

IUPAC[(2S)-oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CCCO1
InChIInChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3/t7-/m0/s1
InChIKeyAAQDYYFAFXGBFZ-ZETCQYMHSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds2

About [(2S)-oxolan-2-yl]methyl acetate

[(2S)-oxolan-2-yl]methyl acetate (PubChem CID 7224985) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl acetate
PubChem CID7224985
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name[(2S)-oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CCCO1
InChIInChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3/t7-/m0/s1
InChIKeyAAQDYYFAFXGBFZ-ZETCQYMHSA-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 [(2S)-oxolan-2-yl]methyl acetate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl acetate (CID 7224985) is [(2S)-oxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl acetate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl acetate is CC(=O)OC[C@@H]1CCCO1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl acetate?
The InChIKey is AAQDYYFAFXGBFZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl acetate?
[(2S)-oxolan-2-yl]methyl acetate 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 [(2S)-oxolan-2-yl]methyl acetate is sourced from PubChem (CID 7224985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).