12-oxatricyclo[5.4.3.01,7]tetradecane

C13H22O — CID 102405571

IUPAC12-oxatricyclo[5.4.3.01,7]tetradecane
SMILESC1CCC23CCCCC2(CC1)OCC3
InChIInChI=1S/C13H22O/c1-2-6-12-7-4-5-9-13(12,8-3-1)14-11-10-12/h1-11H2
InChIKeyJTKWMHHOMHLETG-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.67
Rot. Bonds

About 12-oxatricyclo[5.4.3.01,7]tetradecane

12-oxatricyclo[5.4.3.01,7]tetradecane (PubChem CID 102405571) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 12-oxatricyclo[5.4.3.01,7]tetradecane.

Molecular Properties

Compound Name12-oxatricyclo[5.4.3.01,7]tetradecane
PubChem CID102405571
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name12-oxatricyclo[5.4.3.01,7]tetradecane
SMILESC1CCC23CCCCC2(CC1)OCC3
InChIInChI=1S/C13H22O/c1-2-6-12-7-4-5-9-13(12,8-3-1)14-11-10-12/h1-11H2
InChIKeyJTKWMHHOMHLETG-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12-oxatricyclo[5.4.3.01,7]tetradecane?
The IUPAC name of 12-oxatricyclo[5.4.3.01,7]tetradecane (CID 102405571) is 12-oxatricyclo[5.4.3.01,7]tetradecane.
What is the SMILES notation for 12-oxatricyclo[5.4.3.01,7]tetradecane?
The canonical SMILES for 12-oxatricyclo[5.4.3.01,7]tetradecane is C1CCC23CCCCC2(CC1)OCC3.
What is the InChIKey of 12-oxatricyclo[5.4.3.01,7]tetradecane?
The InChIKey is JTKWMHHOMHLETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-6-12-7-4-5-9-13(12,8-3-1)14-11-10-12/h1-11H2.
What are the key properties of 12-oxatricyclo[5.4.3.01,7]tetradecane?
12-oxatricyclo[5.4.3.01,7]tetradecane has a molecular weight of 194.32 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxatricyclo[5.4.3.01,7]tetradecane is sourced from PubChem (CID 102405571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).