(1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one

C12H16O5 — CID 10354255

IUPAC(1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one
SMILESO=C1O[C@@H]2C[C@@]1(O)C[C@H]1OC3(CCCC3)O[C@@H]21
InChIInChI=1S/C12H16O5/c13-10-11(14)5-7(15-10)9-8(6-11)16-12(17-9)3-1-2-4-12/h7-9,14H,1-6H2/t7-,8-,9+,11-/m1/s1
InChIKeyWZODKNSAKHPFDW-SDNRWEOFSA-N
MW240.25 g/mol
LogP0.49
Rot. Bonds

About (1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one

(1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one (PubChem CID 10354255) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one.

Molecular Properties

Compound Name(1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one
PubChem CID10354255
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one
SMILESO=C1O[C@@H]2C[C@@]1(O)C[C@H]1OC3(CCCC3)O[C@@H]21
InChIInChI=1S/C12H16O5/c13-10-11(14)5-7(15-10)9-8(6-11)16-12(17-9)3-1-2-4-12/h7-9,14H,1-6H2/t7-,8-,9+,11-/m1/s1
InChIKeyWZODKNSAKHPFDW-SDNRWEOFSA-N
XLogP0.49
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one?
The IUPAC name of (1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one (CID 10354255) is (1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one.
What is the SMILES notation for (1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one?
The canonical SMILES for (1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one is O=C1O[C@@H]2C[C@@]1(O)C[C@H]1OC3(CCCC3)O[C@@H]21.
What is the InChIKey of (1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one?
The InChIKey is WZODKNSAKHPFDW-SDNRWEOFSA-N. The full InChI is InChI=1S/C12H16O5/c13-10-11(14)5-7(15-10)9-8(6-11)16-12(17-9)3-1-2-4-12/h7-9,14H,1-6H2/t7-,8-,9+,11-/m1/s1.
What are the key properties of (1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one?
(1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one has a molecular weight of 240.25 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,8S)-8-hydroxyspiro[3,5,10-trioxatricyclo[6.2.1.02,6]undecane-4,1'-cyclopentane]-9-one is sourced from PubChem (CID 10354255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).