6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran

C13H18O — CID 23454483

IUPAC6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran
SMILESCC1=CC(C2CC3C=CC2C3)OCC1
InChIInChI=1S/C13H18O/c1-9-4-5-14-13(6-9)12-8-10-2-3-11(12)7-10/h2-3,6,10-13H,4-5,7-8H2,1H3
InChIKeyZXEUHFBAPLTOLI-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.93
Rot. Bonds1

About 6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran

6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran (PubChem CID 23454483) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran
PubChem CID23454483
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran
SMILESCC1=CC(C2CC3C=CC2C3)OCC1
InChIInChI=1S/C13H18O/c1-9-4-5-14-13(6-9)12-8-10-2-3-11(12)7-10/h2-3,6,10-13H,4-5,7-8H2,1H3
InChIKeyZXEUHFBAPLTOLI-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
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-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of 6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran (CID 23454483) is 6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran is CC1=CC(C2CC3C=CC2C3)OCC1.
What is the InChIKey of 6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran?
The InChIKey is ZXEUHFBAPLTOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-9-4-5-14-13(6-9)12-8-10-2-3-11(12)7-10/h2-3,6,10-13H,4-5,7-8H2,1H3.
What are the key properties of 6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran?
6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran has a molecular weight of 190.29 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 23454483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).