7,11-dioxadispiro[2.2.56.23]tridecane

C11H18O2 — CID 90070233

IUPAC7,11-dioxadispiro[2.2.56.23]tridecane
SMILESC1COC2(CCC3(CC3)CC2)OC1
InChIInChI=1S/C11H18O2/c1-8-12-11(13-9-1)6-4-10(2-3-10)5-7-11/h1-9H2
InChIKeyIXVCLACQBOTMIJ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.47
Rot. Bonds

About 7,11-dioxadispiro[2.2.56.23]tridecane

7,11-dioxadispiro[2.2.56.23]tridecane (PubChem CID 90070233) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 7,11-dioxadispiro[2.2.56.23]tridecane.

Molecular Properties

Compound Name7,11-dioxadispiro[2.2.56.23]tridecane
PubChem CID90070233
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name7,11-dioxadispiro[2.2.56.23]tridecane
SMILESC1COC2(CCC3(CC3)CC2)OC1
InChIInChI=1S/C11H18O2/c1-8-12-11(13-9-1)6-4-10(2-3-10)5-7-11/h1-9H2
InChIKeyIXVCLACQBOTMIJ-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,11-dioxadispiro[2.2.56.23]tridecane?
The IUPAC name of 7,11-dioxadispiro[2.2.56.23]tridecane (CID 90070233) is 7,11-dioxadispiro[2.2.56.23]tridecane.
What is the SMILES notation for 7,11-dioxadispiro[2.2.56.23]tridecane?
The canonical SMILES for 7,11-dioxadispiro[2.2.56.23]tridecane is C1COC2(CCC3(CC3)CC2)OC1.
What is the InChIKey of 7,11-dioxadispiro[2.2.56.23]tridecane?
The InChIKey is IXVCLACQBOTMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-12-11(13-9-1)6-4-10(2-3-10)5-7-11/h1-9H2.
What are the key properties of 7,11-dioxadispiro[2.2.56.23]tridecane?
7,11-dioxadispiro[2.2.56.23]tridecane has a molecular weight of 182.26 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-dioxadispiro[2.2.56.23]tridecane is sourced from PubChem (CID 90070233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).