2-benzyl-4,4-dimethyloxolane

C13H18O — CID 102308399

IUPAC2-benzyl-4,4-dimethyloxolane
SMILESCC1(C)COC(Cc2ccccc2)C1
InChIInChI=1S/C13H18O/c1-13(2)9-12(14-10-13)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyOHNOPFJIDZOQDI-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.04
Rot. Bonds2

About 2-benzyl-4,4-dimethyloxolane

2-benzyl-4,4-dimethyloxolane (PubChem CID 102308399) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-benzyl-4,4-dimethyloxolane.

Molecular Properties

Compound Name2-benzyl-4,4-dimethyloxolane
PubChem CID102308399
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-benzyl-4,4-dimethyloxolane
SMILESCC1(C)COC(Cc2ccccc2)C1
InChIInChI=1S/C13H18O/c1-13(2)9-12(14-10-13)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyOHNOPFJIDZOQDI-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,4-dimethyloxolane?
The IUPAC name of 2-benzyl-4,4-dimethyloxolane (CID 102308399) is 2-benzyl-4,4-dimethyloxolane.
What is the SMILES notation for 2-benzyl-4,4-dimethyloxolane?
The canonical SMILES for 2-benzyl-4,4-dimethyloxolane is CC1(C)COC(Cc2ccccc2)C1.
What is the InChIKey of 2-benzyl-4,4-dimethyloxolane?
The InChIKey is OHNOPFJIDZOQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-13(2)9-12(14-10-13)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3.
What are the key properties of 2-benzyl-4,4-dimethyloxolane?
2-benzyl-4,4-dimethyloxolane has a molecular weight of 190.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,4-dimethyloxolane is sourced from PubChem (CID 102308399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).