5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane

C10H10O — CID 13056304

IUPAC5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane
SMILESO1C2C1C1C3C4C2C2C1C2C43
InChIInChI=1S/C10H10O/c11-9-7-3-1-2-5(7)6(2)8(4(1)3)10(9)11/h1-10H
InChIKeyWQFROJNXZCJULC-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.75
Rot. Bonds

About 5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane

5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane (PubChem CID 13056304) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane.

Molecular Properties

Compound Name5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane
PubChem CID13056304
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane
SMILESO1C2C1C1C3C4C2C2C1C2C43
InChIInChI=1S/C10H10O/c11-9-7-3-1-2-5(7)6(2)8(4(1)3)10(9)11/h1-10H
InChIKeyWQFROJNXZCJULC-UHFFFAOYSA-N
XLogP0.75
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.75
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 5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane?
The IUPAC name of 5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane (CID 13056304) is 5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane.
What is the SMILES notation for 5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane?
The canonical SMILES for 5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane is O1C2C1C1C3C4C2C2C1C2C43.
What is the InChIKey of 5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane?
The InChIKey is WQFROJNXZCJULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c11-9-7-3-1-2-5(7)6(2)8(4(1)3)10(9)11/h1-10H.
What are the key properties of 5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane?
5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane has a molecular weight of 146.19 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxahexacyclo[5.4.0.02,11.03,9.04,6.08,10]undecane is sourced from PubChem (CID 13056304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).