5-benzyloxolan-2-one

C11H12O2 — CID 13256416

IUPAC5-benzyloxolan-2-one
SMILESO=C1CCC(Cc2ccccc2)O1
InChIInChI=1S/C11H12O2/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyOJKCYERWEGKEIS-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.93
Rot. Bonds2

About 5-benzyloxolan-2-one

5-benzyloxolan-2-one (PubChem CID 13256416) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-benzyloxolan-2-one.

Molecular Properties

Compound Name5-benzyloxolan-2-one
PubChem CID13256416
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name5-benzyloxolan-2-one
SMILESO=C1CCC(Cc2ccccc2)O1
InChIInChI=1S/C11H12O2/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyOJKCYERWEGKEIS-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyloxolan-2-one?
The IUPAC name of 5-benzyloxolan-2-one (CID 13256416) is 5-benzyloxolan-2-one.
What is the SMILES notation for 5-benzyloxolan-2-one?
The canonical SMILES for 5-benzyloxolan-2-one is O=C1CCC(Cc2ccccc2)O1.
What is the InChIKey of 5-benzyloxolan-2-one?
The InChIKey is OJKCYERWEGKEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 5-benzyloxolan-2-one?
5-benzyloxolan-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyloxolan-2-one is sourced from PubChem (CID 13256416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).