6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methyl-3,6-dihydro-2H-pyran

C15H24O — CID 23458132

IUPAC6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methyl-3,6-dihydro-2H-pyran
SMILESCC1=CC(C2C3CCC(C3)C2(C)C)OCC1
InChIInChI=1S/C15H24O/c1-10-6-7-16-13(8-10)14-11-4-5-12(9-11)15(14,2)3/h8,11-14H,4-7,9H2,1-3H3
InChIKeyZABOYODKAJHSKL-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.79
Rot. Bonds1

About 6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methyl-3,6-dihydro-2H-pyran

6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methyl-3,6-dihydro-2H-pyran (PubChem CID 23458132) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methyl-3,6-dihydro-2H-pyran
PubChem CID23458132
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methyl-3,6-dihydro-2H-pyran
SMILESCC1=CC(C2C3CCC(C3)C2(C)C)OCC1
InChIInChI=1S/C15H24O/c1-10-6-7-16-13(8-10)14-11-4-5-12(9-11)15(14,2)3/h8,11-14H,4-7,9H2,1-3H3
InChIKeyZABOYODKAJHSKL-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.79
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 6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of 6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methyl-3,6-dihydro-2H-pyran (CID 23458132) is 6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methyl-3,6-dihydro-2H-pyran is CC1=CC(C2C3CCC(C3)C2(C)C)OCC1.
What is the InChIKey of 6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methyl-3,6-dihydro-2H-pyran?
The InChIKey is ZABOYODKAJHSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10-6-7-16-13(8-10)14-11-4-5-12(9-11)15(14,2)3/h8,11-14H,4-7,9H2,1-3H3.
What are the key properties of 6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methyl-3,6-dihydro-2H-pyran?
6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methyl-3,6-dihydro-2H-pyran has a molecular weight of 220.36 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 23458132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).