2,3,5-trimethyl-4-phenyloxolane

C13H18O — CID 3024285

IUPAC2,3,5-trimethyl-4-phenyloxolane
SMILESCC1OC(C)C(c2ccccc2)C1C
InChIInChI=1S/C13H18O/c1-9-10(2)14-11(3)13(9)12-7-5-4-6-8-12/h4-11,13H,1-3H3
InChIKeyAHURUFWASMODST-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.21
Rot. Bonds1

About 2,3,5-trimethyl-4-phenyloxolane

2,3,5-trimethyl-4-phenyloxolane (PubChem CID 3024285) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2,3,5-trimethyl-4-phenyloxolane.

Molecular Properties

Compound Name2,3,5-trimethyl-4-phenyloxolane
PubChem CID3024285
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2,3,5-trimethyl-4-phenyloxolane
SMILESCC1OC(C)C(c2ccccc2)C1C
InChIInChI=1S/C13H18O/c1-9-10(2)14-11(3)13(9)12-7-5-4-6-8-12/h4-11,13H,1-3H3
InChIKeyAHURUFWASMODST-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-4-phenyloxolane?
The IUPAC name of 2,3,5-trimethyl-4-phenyloxolane (CID 3024285) is 2,3,5-trimethyl-4-phenyloxolane.
What is the SMILES notation for 2,3,5-trimethyl-4-phenyloxolane?
The canonical SMILES for 2,3,5-trimethyl-4-phenyloxolane is CC1OC(C)C(c2ccccc2)C1C.
What is the InChIKey of 2,3,5-trimethyl-4-phenyloxolane?
The InChIKey is AHURUFWASMODST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-9-10(2)14-11(3)13(9)12-7-5-4-6-8-12/h4-11,13H,1-3H3.
What are the key properties of 2,3,5-trimethyl-4-phenyloxolane?
2,3,5-trimethyl-4-phenyloxolane has a molecular weight of 190.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-4-phenyloxolane is sourced from PubChem (CID 3024285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).