oxolan-2-ylmethyl acetate

C7H12O3 — CID 12506

IUPACoxolan-2-ylmethyl acetate
SMILESCC(=O)OCC1CCCO1
InChIInChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3
InChIKeyAAQDYYFAFXGBFZ-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds2

About oxolan-2-ylmethyl acetate

oxolan-2-ylmethyl acetate (PubChem CID 12506) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is oxolan-2-ylmethyl acetate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl acetate
PubChem CID12506
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Nameoxolan-2-ylmethyl acetate
SMILESCC(=O)OCC1CCCO1
InChIInChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3
InChIKeyAAQDYYFAFXGBFZ-UHFFFAOYSA-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 oxolan-2-ylmethyl acetate?
The IUPAC name of oxolan-2-ylmethyl acetate (CID 12506) is oxolan-2-ylmethyl acetate.
What is the SMILES notation for oxolan-2-ylmethyl acetate?
The canonical SMILES for oxolan-2-ylmethyl acetate is CC(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl acetate?
The InChIKey is AAQDYYFAFXGBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3.
What are the key properties of oxolan-2-ylmethyl acetate?
oxolan-2-ylmethyl 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 oxolan-2-ylmethyl acetate is sourced from PubChem (CID 12506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).