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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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 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).