2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane

C14H20O — CID 138401795

IUPAC2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane
SMILESCC1CC(C)OC(C2=CC3C=CC2C3)C1
InChIInChI=1S/C14H20O/c1-9-5-10(2)15-14(6-9)13-8-11-3-4-12(13)7-11/h3-4,8-12,14H,5-7H2,1-2H3
InChIKeyGNAMGFLYMQGDEF-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.32
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane

2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane (PubChem CID 138401795) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane
PubChem CID138401795
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane
SMILESCC1CC(C)OC(C2=CC3C=CC2C3)C1
InChIInChI=1S/C14H20O/c1-9-5-10(2)15-14(6-9)13-8-11-3-4-12(13)7-11/h3-4,8-12,14H,5-7H2,1-2H3
InChIKeyGNAMGFLYMQGDEF-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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

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Bisabolene oxide
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Anethofuran
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Cabreuva oxide D
CID 21603104
Cabreuva oxide B
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Cabreuva oxide C
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CID 91746670
Oxidohimachalene
CID 71439330
[1R,3S,6R]-1,3,7,7-Tetramethyl-2-oxabicyclo[4,4,0]dec-9-ene
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(1S,3S,4R)-1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]oct-5-ene
CID 15043226

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane (CID 138401795) is 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane is CC1CC(C)OC(C2=CC3C=CC2C3)C1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane?
The InChIKey is GNAMGFLYMQGDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9-5-10(2)15-14(6-9)13-8-11-3-4-12(13)7-11/h3-4,8-12,14H,5-7H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane?
2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane has a molecular weight of 204.31 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-4,6-dimethyloxane is sourced from PubChem (CID 138401795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).