(8R,9R)-4-oxadispiro[2.1.25.33]decane-6,8,9-triol

C9H14O4 — CID 163554872

IUPAC(8R,9R)-4-oxadispiro[2.1.25.33]decane-6,8,9-triol
SMILESOC1CC12OC1(CC1)C[C@@H](O)[C@H]2O
InChIInChI=1S/C9H14O4/c10-5-3-8(1-2-8)13-9(7(5)12)4-6(9)11/h5-7,10-12H,1-4H2/t5-,6?,7-,9?/m1/s1
InChIKeyFMEIOEXDNTZALN-DOBFWROPSA-N
MW186.21 g/mol
LogP-0.84
Rot. Bonds

About (8R,9R)-4-oxadispiro[2.1.25.33]decane-6,8,9-triol

(8R,9R)-4-oxadispiro[2.1.25.33]decane-6,8,9-triol (PubChem CID 163554872) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (8R,9R)-4-oxadispiro[2.1.25.33]decane-6,8,9-triol.

Molecular Properties

Compound Name(8R,9R)-4-oxadispiro[2.1.25.33]decane-6,8,9-triol
PubChem CID163554872
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(8R,9R)-4-oxadispiro[2.1.25.33]decane-6,8,9-triol
SMILESOC1CC12OC1(CC1)C[C@@H](O)[C@H]2O
InChIInChI=1S/C9H14O4/c10-5-3-8(1-2-8)13-9(7(5)12)4-6(9)11/h5-7,10-12H,1-4H2/t5-,6?,7-,9?/m1/s1
InChIKeyFMEIOEXDNTZALN-DOBFWROPSA-N
XLogP-0.84
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8R,9R)-4-oxadispiro[2.1.25.33]decane-6,8,9-triol?
The IUPAC name of (8R,9R)-4-oxadispiro[2.1.25.33]decane-6,8,9-triol (CID 163554872) is (8R,9R)-4-oxadispiro[2.1.25.33]decane-6,8,9-triol.
What is the SMILES notation for (8R,9R)-4-oxadispiro[2.1.25.33]decane-6,8,9-triol?
The canonical SMILES for (8R,9R)-4-oxadispiro[2.1.25.33]decane-6,8,9-triol is OC1CC12OC1(CC1)C[C@@H](O)[C@H]2O.
What is the InChIKey of (8R,9R)-4-oxadispiro[2.1.25.33]decane-6,8,9-triol?
The InChIKey is FMEIOEXDNTZALN-DOBFWROPSA-N. The full InChI is InChI=1S/C9H14O4/c10-5-3-8(1-2-8)13-9(7(5)12)4-6(9)11/h5-7,10-12H,1-4H2/t5-,6?,7-,9?/m1/s1.
What are the key properties of (8R,9R)-4-oxadispiro[2.1.25.33]decane-6,8,9-triol?
(8R,9R)-4-oxadispiro[2.1.25.33]decane-6,8,9-triol has a molecular weight of 186.21 g/mol, XLogP of -0.84, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9R)-4-oxadispiro[2.1.25.33]decane-6,8,9-triol is sourced from PubChem (CID 163554872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).