3,3-dibenzyloxolan-2-one

C18H18O2 — CID 22386366

IUPAC3,3-dibenzyloxolan-2-one
SMILESO=C1OCCC1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H18O2/c19-17-18(11-12-20-17,13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyUCQAGVHISBIIKI-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.41
Rot. Bonds4

About 3,3-dibenzyloxolan-2-one

3,3-dibenzyloxolan-2-one (PubChem CID 22386366) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3,3-dibenzyloxolan-2-one.

Molecular Properties

Compound Name3,3-dibenzyloxolan-2-one
PubChem CID22386366
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3,3-dibenzyloxolan-2-one
SMILESO=C1OCCC1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H18O2/c19-17-18(11-12-20-17,13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyUCQAGVHISBIIKI-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dibenzyloxolan-2-one?
The IUPAC name of 3,3-dibenzyloxolan-2-one (CID 22386366) is 3,3-dibenzyloxolan-2-one.
What is the SMILES notation for 3,3-dibenzyloxolan-2-one?
The canonical SMILES for 3,3-dibenzyloxolan-2-one is O=C1OCCC1(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3,3-dibenzyloxolan-2-one?
The InChIKey is UCQAGVHISBIIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-17-18(11-12-20-17,13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of 3,3-dibenzyloxolan-2-one?
3,3-dibenzyloxolan-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibenzyloxolan-2-one is sourced from PubChem (CID 22386366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).