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

C15H22O — CID 23454497

IUPAC2,4-dimethyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
SMILESCC1=CC(C2C3C=CC(C3)C2C)OC(C)C1
InChIInChI=1S/C15H22O/c1-9-6-10(2)16-14(7-9)15-11(3)12-4-5-13(15)8-12/h4-5,7,10-15H,6,8H2,1-3H3
InChIKeyIZCWIXGWBKIFKT-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.57
Rot. Bonds1

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

2,4-dimethyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran (PubChem CID 23454497) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,4-dimethyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2,4-dimethyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
PubChem CID23454497
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2,4-dimethyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
SMILESCC1=CC(C2C3C=CC(C3)C2C)OC(C)C1
InChIInChI=1S/C15H22O/c1-9-6-10(2)16-14(7-9)15-11(3)12-4-5-13(15)8-12/h4-5,7,10-15H,6,8H2,1-3H3
InChIKeyIZCWIXGWBKIFKT-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'}

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

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Related Compounds

Italicene ether
CID 14105916
Bisabolene oxide
CID 56842615
3a,4,5,6,7,7a-hexahydromethoxy-4,7-methano-1H-indene
CID 13425224
6,11-oxido-Acor-4-ene
CID 91747164
(-) Italicene ether
CID 91747468
(2S,4S,5R)-4,8-dimethyl-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
CID 162941234
6,8,9-Trimethyl-4-(1-propen-1-yl)-3-oxabicyclo[3.3.1]non-6-ene
CID 5757844
2H-Pyran, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-yl)tetrahydro-4,6-dimethyl-, didehydro deriv.
CID 172922
2H-Pyran, tetrahydro-2,4-dimethyl-6-(3-methylbicyclo(2.2.1)hept-5-en-2-yl)-, didehydro deriv.
CID 23454481
2H-Pyran, 2-bicyclo[2.2.1]hept-5-en-2-yltetrahydro-4,6-dimethyl-, didehydro deriv.
CID 138401795
2-(1-Ethoxyethyl)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 88106607
10-Epi-italicene ether
CID 91747401

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 2,4-dimethyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran (CID 23454497) is 2,4-dimethyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2,4-dimethyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 2,4-dimethyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran is CC1=CC(C2C3C=CC(C3)C2C)OC(C)C1.
What is the InChIKey of 2,4-dimethyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
The InChIKey is IZCWIXGWBKIFKT-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/h4-5,7,10-15H,6,8H2,1-3H3.
What are the key properties of 2,4-dimethyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
2,4-dimethyl-6-(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 2,4-dimethyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 23454497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).