4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran

C15H20O — CID 122420336

IUPAC4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran
SMILESCC1=CC(C)OC(C(C)c2ccccc2)C1
InChIInChI=1S/C15H20O/c1-11-9-12(2)16-15(10-11)13(3)14-7-5-4-6-8-14/h4-9,12-13,15H,10H2,1-3H3
InChIKeyCWFVRZKIYJWUQH-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.91
Rot. Bonds2

About 4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran

4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran (PubChem CID 122420336) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran
PubChem CID122420336
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran
SMILESCC1=CC(C)OC(C(C)c2ccccc2)C1
InChIInChI=1S/C15H20O/c1-11-9-12(2)16-15(10-11)13(3)14-7-5-4-6-8-14/h4-9,12-13,15H,10H2,1-3H3
InChIKeyCWFVRZKIYJWUQH-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.91
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 4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran (CID 122420336) is 4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran is CC1=CC(C)OC(C(C)c2ccccc2)C1.
What is the InChIKey of 4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran?
The InChIKey is CWFVRZKIYJWUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11-9-12(2)16-15(10-11)13(3)14-7-5-4-6-8-14/h4-9,12-13,15H,10H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran?
4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran has a molecular weight of 216.32 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(1-phenylethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 122420336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).