8-(6-oxabicyclo[3.2.0]heptan-3-yl)-7-oxabicyclo[4.2.0]octane

C13H20O2 — CID 146491977

IUPAC8-(6-oxabicyclo[3.2.0]heptan-3-yl)-7-oxabicyclo[4.2.0]octane
SMILESC1CCC2C(C1)OC2C1CC2COC2C1
InChIInChI=1S/C13H20O2/c1-2-4-11-10(3-1)13(15-11)8-5-9-7-14-12(9)6-8/h8-13H,1-7H2
InChIKeyWILPYWHPTHRNFK-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.37
Rot. Bonds1

About 8-(6-oxabicyclo[3.2.0]heptan-3-yl)-7-oxabicyclo[4.2.0]octane

8-(6-oxabicyclo[3.2.0]heptan-3-yl)-7-oxabicyclo[4.2.0]octane (PubChem CID 146491977) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 8-(6-oxabicyclo[3.2.0]heptan-3-yl)-7-oxabicyclo[4.2.0]octane.

Molecular Properties

Compound Name8-(6-oxabicyclo[3.2.0]heptan-3-yl)-7-oxabicyclo[4.2.0]octane
PubChem CID146491977
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name8-(6-oxabicyclo[3.2.0]heptan-3-yl)-7-oxabicyclo[4.2.0]octane
SMILESC1CCC2C(C1)OC2C1CC2COC2C1
InChIInChI=1S/C13H20O2/c1-2-4-11-10(3-1)13(15-11)8-5-9-7-14-12(9)6-8/h8-13H,1-7H2
InChIKeyWILPYWHPTHRNFK-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(6-oxabicyclo[3.2.0]heptan-3-yl)-7-oxabicyclo[4.2.0]octane?
The IUPAC name of 8-(6-oxabicyclo[3.2.0]heptan-3-yl)-7-oxabicyclo[4.2.0]octane (CID 146491977) is 8-(6-oxabicyclo[3.2.0]heptan-3-yl)-7-oxabicyclo[4.2.0]octane.
What is the SMILES notation for 8-(6-oxabicyclo[3.2.0]heptan-3-yl)-7-oxabicyclo[4.2.0]octane?
The canonical SMILES for 8-(6-oxabicyclo[3.2.0]heptan-3-yl)-7-oxabicyclo[4.2.0]octane is C1CCC2C(C1)OC2C1CC2COC2C1.
What is the InChIKey of 8-(6-oxabicyclo[3.2.0]heptan-3-yl)-7-oxabicyclo[4.2.0]octane?
The InChIKey is WILPYWHPTHRNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-4-11-10(3-1)13(15-11)8-5-9-7-14-12(9)6-8/h8-13H,1-7H2.
What are the key properties of 8-(6-oxabicyclo[3.2.0]heptan-3-yl)-7-oxabicyclo[4.2.0]octane?
8-(6-oxabicyclo[3.2.0]heptan-3-yl)-7-oxabicyclo[4.2.0]octane has a molecular weight of 208.30 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-oxabicyclo[3.2.0]heptan-3-yl)-7-oxabicyclo[4.2.0]octane is sourced from PubChem (CID 146491977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).