5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane

C16H26O — CID 57483301

IUPAC5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane
SMILESCC1=CCC(C23CCCC(C)(C2)OC3)C1(C)C
InChIInChI=1S/C16H26O/c1-12-6-7-13(14(12,2)3)16-9-5-8-15(4,10-16)17-11-16/h6,13H,5,7-11H2,1-4H3
InChIKeyRTIYSHLNESDZSF-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.33
Rot. Bonds1

About 5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane

5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane (PubChem CID 57483301) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane
PubChem CID57483301
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane
SMILESCC1=CCC(C23CCCC(C)(C2)OC3)C1(C)C
InChIInChI=1S/C16H26O/c1-12-6-7-13(14(12,2)3)16-9-5-8-15(4,10-16)17-11-16/h6,13H,5,7-11H2,1-4H3
InChIKeyRTIYSHLNESDZSF-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.33
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 5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane?
The IUPAC name of 5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane (CID 57483301) is 5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane.
What is the SMILES notation for 5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane?
The canonical SMILES for 5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane is CC1=CCC(C23CCCC(C)(C2)OC3)C1(C)C.
What is the InChIKey of 5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane?
The InChIKey is RTIYSHLNESDZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-12-6-7-13(14(12,2)3)16-9-5-8-15(4,10-16)17-11-16/h6,13H,5,7-11H2,1-4H3.
What are the key properties of 5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane?
5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane has a molecular weight of 234.38 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 57483301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).