(8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol

C10H14O3 — CID 163723091

IUPAC(8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol
SMILESO[C@@H]1C[C@]12OC1(CC1)C1(CC1)[C@@H]2O
InChIInChI=1S/C10H14O3/c11-6-5-10(6)7(12)8(1-2-8)9(13-10)3-4-9/h6-7,11-12H,1-5H2/t6-,7+,10+/m1/s1
InChIKeyKTGOMCPVTGRXCR-FWWHASMVSA-N
MW182.22 g/mol
LogP0.19
Rot. Bonds

About (8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol

(8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol (PubChem CID 163723091) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol.

Molecular Properties

Compound Name(8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol
PubChem CID163723091
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol
SMILESO[C@@H]1C[C@]12OC1(CC1)C1(CC1)[C@@H]2O
InChIInChI=1S/C10H14O3/c11-6-5-10(6)7(12)8(1-2-8)9(13-10)3-4-9/h6-7,11-12H,1-5H2/t6-,7+,10+/m1/s1
InChIKeyKTGOMCPVTGRXCR-FWWHASMVSA-N
XLogP0.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol with MolForge

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Related Compounds

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(5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol
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(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-1-ol
CID 97106674
(1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol
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(4S,5S,6R,9R)-9-methyldispiro[2.1.25.23]nonane-4,6-diol
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1-fluorocyclohexane-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of (8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol?
The IUPAC name of (8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol (CID 163723091) is (8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol.
What is the SMILES notation for (8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol?
The canonical SMILES for (8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol is O[C@@H]1C[C@]12OC1(CC1)C1(CC1)[C@@H]2O.
What is the InChIKey of (8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol?
The InChIKey is KTGOMCPVTGRXCR-FWWHASMVSA-N. The full InChI is InChI=1S/C10H14O3/c11-6-5-10(6)7(12)8(1-2-8)9(13-10)3-4-9/h6-7,11-12H,1-5H2/t6-,7+,10+/m1/s1.
What are the key properties of (8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol?
(8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol has a molecular weight of 182.22 g/mol, XLogP of 0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9R,11S)-7-oxatrispiro[2.0.24.1.28.13]undecane-9,11-diol is sourced from PubChem (CID 163723091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).