2,2-dibenzyloxolane

C18H20O — CID 54399574

IUPAC2,2-dibenzyloxolane
SMILESc1ccc(CC2(Cc3ccccc3)CCCO2)cc1
InChIInChI=1S/C18H20O/c1-3-8-16(9-4-1)14-18(12-7-13-19-18)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2
InChIKeyVMLFIYNRSDPHMZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.02
Rot. Bonds4

About 2,2-dibenzyloxolane

2,2-dibenzyloxolane (PubChem CID 54399574) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,2-dibenzyloxolane.

Molecular Properties

Compound Name2,2-dibenzyloxolane
PubChem CID54399574
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name2,2-dibenzyloxolane
SMILESc1ccc(CC2(Cc3ccccc3)CCCO2)cc1
InChIInChI=1S/C18H20O/c1-3-8-16(9-4-1)14-18(12-7-13-19-18)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2
InChIKeyVMLFIYNRSDPHMZ-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibenzyloxolane?
The IUPAC name of 2,2-dibenzyloxolane (CID 54399574) is 2,2-dibenzyloxolane.
What is the SMILES notation for 2,2-dibenzyloxolane?
The canonical SMILES for 2,2-dibenzyloxolane is c1ccc(CC2(Cc3ccccc3)CCCO2)cc1.
What is the InChIKey of 2,2-dibenzyloxolane?
The InChIKey is VMLFIYNRSDPHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-3-8-16(9-4-1)14-18(12-7-13-19-18)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2.
What are the key properties of 2,2-dibenzyloxolane?
2,2-dibenzyloxolane has a molecular weight of 252.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibenzyloxolane is sourced from PubChem (CID 54399574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).