2-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran

C15H20O — CID 56977726

IUPAC2-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran
SMILESCC(C)(C)c1ccc(C2CC=CCO2)cc1
InChIInChI=1S/C15H20O/c1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14/h4-5,7-10,14H,6,11H2,1-3H3
InChIKeyALCXFNLLOLDYGN-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.00
Rot. Bonds1

About 2-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran

2-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran (PubChem CID 56977726) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran
PubChem CID56977726
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran
SMILESCC(C)(C)c1ccc(C2CC=CCO2)cc1
InChIInChI=1S/C15H20O/c1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14/h4-5,7-10,14H,6,11H2,1-3H3
InChIKeyALCXFNLLOLDYGN-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 2-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran (CID 56977726) is 2-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran is CC(C)(C)c1ccc(C2CC=CCO2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran?
The InChIKey is ALCXFNLLOLDYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14/h4-5,7-10,14H,6,11H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran?
2-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran has a molecular weight of 216.32 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 56977726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).