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

C14H20O — CID 23454480

IUPAC4-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
SMILESCC1=CC(C2C3C=CC(C3)C2C)OCC1
InChIInChI=1S/C14H20O/c1-9-5-6-15-13(7-9)14-10(2)11-3-4-12(14)8-11/h3-4,7,10-14H,5-6,8H2,1-2H3
InChIKeyZWXPUGLAKLBQQX-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.18
Rot. Bonds1

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

4-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran (PubChem CID 23454480) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
PubChem CID23454480
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
SMILESCC1=CC(C2C3C=CC(C3)C2C)OCC1
InChIInChI=1S/C14H20O/c1-9-5-6-15-13(7-9)14-10(2)11-3-4-12(14)8-11/h3-4,7,10-14H,5-6,8H2,1-2H3
InChIKeyZWXPUGLAKLBQQX-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.18
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-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 4-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran (CID 23454480) is 4-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran is CC1=CC(C2C3C=CC(C3)C2C)OCC1.
What is the InChIKey of 4-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
The InChIKey is ZWXPUGLAKLBQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9-5-6-15-13(7-9)14-10(2)11-3-4-12(14)8-11/h3-4,7,10-14H,5-6,8H2,1-2H3.
What are the key properties of 4-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
4-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran has a molecular weight of 204.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 23454480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).