(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane

C13H22O2 — CID 122419523

IUPAC(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
SMILESC1CCC2OC2CCCC[C@H]2OC2CC1
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/t10?,11?,12-,13?/m1/s1
InChIKeyQFQOBXXZCDQMDI-AYNROABZSA-N
MW210.32 g/mol
LogP3.05
Rot. Bonds

About (6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane

(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane (PubChem CID 122419523) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane.

Molecular Properties

Compound Name(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
PubChem CID122419523
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
SMILESC1CCC2OC2CCCC[C@H]2OC2CC1
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/t10?,11?,12-,13?/m1/s1
InChIKeyQFQOBXXZCDQMDI-AYNROABZSA-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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Related Compounds

25-oxabicyclo[22.1.0]pentacosane
CID 156633217
7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 88907444
(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
sodium;hydride;7-oxabicyclo[4.1.0]heptane
CID 173104764
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792
7-oxabicyclo[4.1.0]heptane;oxirane
CID 131984165
ethane;2-methylpropane;8-oxabicyclo[5.1.0]octane
CID 159343049
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
1,4-dioxane;7-oxabicyclo[4.1.0]heptane
CID 174406152
(16S)-17-oxabicyclo[14.1.0]heptadec-8-ene
CID 173496111
(8Z)-17-oxabicyclo[14.1.0]heptadec-8-ene
CID 19838536

Frequently Asked Questions

What is the IUPAC name of (6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane?
The IUPAC name of (6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane (CID 122419523) is (6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane.
What is the SMILES notation for (6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane?
The canonical SMILES for (6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane is C1CCC2OC2CCCC[C@H]2OC2CC1.
What is the InChIKey of (6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane?
The InChIKey is QFQOBXXZCDQMDI-AYNROABZSA-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/t10?,11?,12-,13?/m1/s1.
What are the key properties of (6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane?
(6R)-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 (6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane is sourced from PubChem (CID 122419523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).