3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane

C12H18O2 — CID 18952580

IUPAC3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1C1CCC2OC2C1
InChIInChI=1S/C12H18O2/c1-3-9-11(13-9)5-7(1)8-2-4-10-12(6-8)14-10/h7-12H,1-6H2
InChIKeyCFXPUPHOOWUQRH-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.12
Rot. Bonds1

About 3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane

3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 18952580) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane
PubChem CID18952580
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1C1CCC2OC2C1
InChIInChI=1S/C12H18O2/c1-3-9-11(13-9)5-7(1)8-2-4-10-12(6-8)14-10/h7-12H,1-6H2
InChIKeyCFXPUPHOOWUQRH-UHFFFAOYSA-N
XLogP2.12
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.12
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 3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane (CID 18952580) is 3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane is C1CC2OC2CC1C1CCC2OC2C1.
What is the InChIKey of 3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is CFXPUPHOOWUQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-9-11(13-9)5-7(1)8-2-4-10-12(6-8)14-10/h7-12H,1-6H2.
What are the key properties of 3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane?
3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 194.27 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 18952580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).