(1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione

C11H16O3 — CID 11287061

IUPAC(1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione
SMILESO=C1C[C@H]2CCCCC[C@H]2C(=O)CO1
InChIInChI=1S/C11H16O3/c12-10-7-14-11(13)6-8-4-2-1-3-5-9(8)10/h8-9H,1-7H2/t8-,9-/m1/s1
InChIKeyRKOYSPJENWHTRN-RKDXNWHRSA-N
MW196.25 g/mol
LogP1.70
Rot. Bonds

About (1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione

(1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione (PubChem CID 11287061) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione.

Molecular Properties

Compound Name(1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione
PubChem CID11287061
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione
SMILESO=C1C[C@H]2CCCCC[C@H]2C(=O)CO1
InChIInChI=1S/C11H16O3/c12-10-7-14-11(13)6-8-4-2-1-3-5-9(8)10/h8-9H,1-7H2/t8-,9-/m1/s1
InChIKeyRKOYSPJENWHTRN-RKDXNWHRSA-N
XLogP1.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione?
The IUPAC name of (1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione (CID 11287061) is (1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione.
What is the SMILES notation for (1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione?
The canonical SMILES for (1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione is O=C1C[C@H]2CCCCC[C@H]2C(=O)CO1.
What is the InChIKey of (1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione?
The InChIKey is RKOYSPJENWHTRN-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H16O3/c12-10-7-14-11(13)6-8-4-2-1-3-5-9(8)10/h8-9H,1-7H2/t8-,9-/m1/s1.
What are the key properties of (1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione?
(1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione has a molecular weight of 196.25 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R)-4-oxabicyclo[5.5.0]dodecane-2,5-dione is sourced from PubChem (CID 11287061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).