3-benzyl-2,2,5,5-tetramethyloxolan-3-ol

C15H22O2 — CID 79928120

IUPAC3-benzyl-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)CC(O)(Cc2ccccc2)C(C)(C)O1
InChIInChI=1S/C15H22O2/c1-13(2)11-15(16,14(3,4)17-13)10-12-8-6-5-7-9-12/h5-9,16H,10-11H2,1-4H3
InChIKeyALBVMZZJTUVMEG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.94
Rot. Bonds2

About 3-benzyl-2,2,5,5-tetramethyloxolan-3-ol

3-benzyl-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79928120) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-benzyl-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name3-benzyl-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79928120
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-benzyl-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)CC(O)(Cc2ccccc2)C(C)(C)O1
InChIInChI=1S/C15H22O2/c1-13(2)11-15(16,14(3,4)17-13)10-12-8-6-5-7-9-12/h5-9,16H,10-11H2,1-4H3
InChIKeyALBVMZZJTUVMEG-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 3-benzyl-2,2,5,5-tetramethyloxolan-3-ol (CID 79928120) is 3-benzyl-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 3-benzyl-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 3-benzyl-2,2,5,5-tetramethyloxolan-3-ol is CC1(C)CC(O)(Cc2ccccc2)C(C)(C)O1.
What is the InChIKey of 3-benzyl-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is ALBVMZZJTUVMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-13(2)11-15(16,14(3,4)17-13)10-12-8-6-5-7-9-12/h5-9,16H,10-11H2,1-4H3.
What are the key properties of 3-benzyl-2,2,5,5-tetramethyloxolan-3-ol?
3-benzyl-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 234.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79928120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).