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

C15H22O — CID 23454481

IUPAC4,6-dimethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
SMILESCC1=CC(C)OC(C2C3C=CC(C3)C2C)C1
InChIInChI=1S/C15H22O/c1-9-6-10(2)16-14(7-9)15-11(3)12-4-5-13(15)8-12/h4-6,10-15H,7-8H2,1-3H3
InChIKeyRAVXOXBLBRYGML-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.57
Rot. Bonds1

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

4,6-dimethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran (PubChem CID 23454481) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 4,6-dimethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4,6-dimethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
PubChem CID23454481
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name4,6-dimethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
SMILESCC1=CC(C)OC(C2C3C=CC(C3)C2C)C1
InChIInChI=1S/C15H22O/c1-9-6-10(2)16-14(7-9)15-11(3)12-4-5-13(15)8-12/h4-6,10-15H,7-8H2,1-3H3
InChIKeyRAVXOXBLBRYGML-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.57
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-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 4,6-dimethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran (CID 23454481) is 4,6-dimethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4,6-dimethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 4,6-dimethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran is CC1=CC(C)OC(C2C3C=CC(C3)C2C)C1.
What is the InChIKey of 4,6-dimethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
The InChIKey is RAVXOXBLBRYGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-9-6-10(2)16-14(7-9)15-11(3)12-4-5-13(15)8-12/h4-6,10-15H,7-8H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
4,6-dimethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran has a molecular weight of 218.34 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 23454481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).