(1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione

C13H16O4 — CID 11183953

IUPAC(1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione
SMILESO=C1C[C@@H]2OC(=O)[C@@H]3CC[C@@]4(CCCO4)[C@H]1[C@H]23
InChIInChI=1S/C13H16O4/c14-8-6-9-10-7(12(15)17-9)2-4-13(11(8)10)3-1-5-16-13/h7,9-11H,1-6H2/t7-,9+,10+,11-,13+/m1/s1
InChIKeyXIHXRGJIAMENHR-QHKDRZEJSA-N
MW236.27 g/mol
LogP1.08
Rot. Bonds

About (1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione

(1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione (PubChem CID 11183953) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is (1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione.

Molecular Properties

Compound Name(1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione
PubChem CID11183953
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name(1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione
SMILESO=C1C[C@@H]2OC(=O)[C@@H]3CC[C@@]4(CCCO4)[C@H]1[C@H]23
InChIInChI=1S/C13H16O4/c14-8-6-9-10-7(12(15)17-9)2-4-13(11(8)10)3-1-5-16-13/h7,9-11H,1-6H2/t7-,9+,10+,11-,13+/m1/s1
InChIKeyXIHXRGJIAMENHR-QHKDRZEJSA-N
XLogP1.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione?
The IUPAC name of (1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione (CID 11183953) is (1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione.
What is the SMILES notation for (1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione?
The canonical SMILES for (1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione is O=C1C[C@@H]2OC(=O)[C@@H]3CC[C@@]4(CCCO4)[C@H]1[C@H]23.
What is the InChIKey of (1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione?
The InChIKey is XIHXRGJIAMENHR-QHKDRZEJSA-N. The full InChI is InChI=1S/C13H16O4/c14-8-6-9-10-7(12(15)17-9)2-4-13(11(8)10)3-1-5-16-13/h7,9-11H,1-6H2/t7-,9+,10+,11-,13+/m1/s1.
What are the key properties of (1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione?
(1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione has a molecular weight of 236.27 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,7R,8R,11S)-spiro[3-oxatricyclo[5.3.1.04,11]undecane-8,2'-oxolane]-2,6-dione is sourced from PubChem (CID 11183953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).