3-benzyl-5-(ethoxymethyl)oxolan-2-one

C14H18O3 — CID 12815720

IUPAC3-benzyl-5-(ethoxymethyl)oxolan-2-one
SMILESCCOCC1CC(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C14H18O3/c1-2-16-10-13-9-12(14(15)17-13)8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKeyKENBRRNOMVNRPH-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.20
Rot. Bonds5

About 3-benzyl-5-(ethoxymethyl)oxolan-2-one

3-benzyl-5-(ethoxymethyl)oxolan-2-one (PubChem CID 12815720) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-benzyl-5-(ethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name3-benzyl-5-(ethoxymethyl)oxolan-2-one
PubChem CID12815720
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name3-benzyl-5-(ethoxymethyl)oxolan-2-one
SMILESCCOCC1CC(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C14H18O3/c1-2-16-10-13-9-12(14(15)17-13)8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKeyKENBRRNOMVNRPH-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(ethoxymethyl)oxolan-2-one?
The IUPAC name of 3-benzyl-5-(ethoxymethyl)oxolan-2-one (CID 12815720) is 3-benzyl-5-(ethoxymethyl)oxolan-2-one.
What is the SMILES notation for 3-benzyl-5-(ethoxymethyl)oxolan-2-one?
The canonical SMILES for 3-benzyl-5-(ethoxymethyl)oxolan-2-one is CCOCC1CC(Cc2ccccc2)C(=O)O1.
What is the InChIKey of 3-benzyl-5-(ethoxymethyl)oxolan-2-one?
The InChIKey is KENBRRNOMVNRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-16-10-13-9-12(14(15)17-13)8-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3.
What are the key properties of 3-benzyl-5-(ethoxymethyl)oxolan-2-one?
3-benzyl-5-(ethoxymethyl)oxolan-2-one has a molecular weight of 234.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(ethoxymethyl)oxolan-2-one is sourced from PubChem (CID 12815720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).