7,15-dioxatricyclo[12.1.0.06,8]pentadecane

C13H22O2 — CID 88907444

IUPAC7,15-dioxatricyclo[12.1.0.06,8]pentadecane
SMILESC1CCC2OC2CCCCC2OC2CC1
InChIInChI=1S/C13H22O2/c1-2-6-10-12(14-10)8-4-5-9-13-11(15-13)7-3-1/h10-13H,1-9H2
InChIKeyQFQOBXXZCDQMDI-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.05
Rot. Bonds

About 7,15-dioxatricyclo[12.1.0.06,8]pentadecane

7,15-dioxatricyclo[12.1.0.06,8]pentadecane (PubChem CID 88907444) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 7,15-dioxatricyclo[12.1.0.06,8]pentadecane.

Molecular Properties

Compound Name7,15-dioxatricyclo[12.1.0.06,8]pentadecane
PubChem CID88907444
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name7,15-dioxatricyclo[12.1.0.06,8]pentadecane
SMILESC1CCC2OC2CCCCC2OC2CC1
InChIInChI=1S/C13H22O2/c1-2-6-10-12(14-10)8-4-5-9-13-11(15-13)7-3-1/h10-13H,1-9H2
InChIKeyQFQOBXXZCDQMDI-UHFFFAOYSA-N
XLogP3.05
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 7,15-dioxatricyclo[12.1.0.06,8]pentadecane?
The IUPAC name of 7,15-dioxatricyclo[12.1.0.06,8]pentadecane (CID 88907444) is 7,15-dioxatricyclo[12.1.0.06,8]pentadecane.
What is the SMILES notation for 7,15-dioxatricyclo[12.1.0.06,8]pentadecane?
The canonical SMILES for 7,15-dioxatricyclo[12.1.0.06,8]pentadecane is C1CCC2OC2CCCCC2OC2CC1.
What is the InChIKey of 7,15-dioxatricyclo[12.1.0.06,8]pentadecane?
The InChIKey is QFQOBXXZCDQMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-6-10-12(14-10)8-4-5-9-13-11(15-13)7-3-1/h10-13H,1-9H2.
What are the key properties of 7,15-dioxatricyclo[12.1.0.06,8]pentadecane?
7,15-dioxatricyclo[12.1.0.06,8]pentadecane has a molecular weight of 210.32 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15-dioxatricyclo[12.1.0.06,8]pentadecane is sourced from PubChem (CID 88907444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).