12-oxatetracyclo[5.2.2.12,6.02,6]dodecane

C11H16O — CID 13446685

IUPAC12-oxatetracyclo[5.2.2.12,6.02,6]dodecane
SMILESC1CC23OC2(C1)C1CCC3CC1
InChIInChI=1S/C11H16O/c1-6-10-8-2-3-9(5-4-8)11(10,7-1)12-10/h8-9H,1-7H2
InChIKeyJLBKJRUVNWSVLC-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.50
Rot. Bonds

About 12-oxatetracyclo[5.2.2.12,6.02,6]dodecane

12-oxatetracyclo[5.2.2.12,6.02,6]dodecane (PubChem CID 13446685) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 12-oxatetracyclo[5.2.2.12,6.02,6]dodecane.

Molecular Properties

Compound Name12-oxatetracyclo[5.2.2.12,6.02,6]dodecane
PubChem CID13446685
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name12-oxatetracyclo[5.2.2.12,6.02,6]dodecane
SMILESC1CC23OC2(C1)C1CCC3CC1
InChIInChI=1S/C11H16O/c1-6-10-8-2-3-9(5-4-8)11(10,7-1)12-10/h8-9H,1-7H2
InChIKeyJLBKJRUVNWSVLC-UHFFFAOYSA-N
XLogP2.50
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-oxatetracyclo[5.2.2.12,6.02,6]dodecane?
The IUPAC name of 12-oxatetracyclo[5.2.2.12,6.02,6]dodecane (CID 13446685) is 12-oxatetracyclo[5.2.2.12,6.02,6]dodecane.
What is the SMILES notation for 12-oxatetracyclo[5.2.2.12,6.02,6]dodecane?
The canonical SMILES for 12-oxatetracyclo[5.2.2.12,6.02,6]dodecane is C1CC23OC2(C1)C1CCC3CC1.
What is the InChIKey of 12-oxatetracyclo[5.2.2.12,6.02,6]dodecane?
The InChIKey is JLBKJRUVNWSVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-6-10-8-2-3-9(5-4-8)11(10,7-1)12-10/h8-9H,1-7H2.
What are the key properties of 12-oxatetracyclo[5.2.2.12,6.02,6]dodecane?
12-oxatetracyclo[5.2.2.12,6.02,6]dodecane has a molecular weight of 164.25 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxatetracyclo[5.2.2.12,6.02,6]dodecane is sourced from PubChem (CID 13446685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).