4-oxaspiro[2.5]octane-6,7,8-triol

C7H12O4 — CID 123215793

IUPAC4-oxaspiro[2.5]octane-6,7,8-triol
SMILESOC1COC2(CC2)C(O)C1O
InChIInChI=1S/C7H12O4/c8-4-3-11-7(1-2-7)6(10)5(4)9/h4-6,8-10H,1-3H2
InChIKeyUONAEWLXSVUQKT-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.37
Rot. Bonds

About 4-oxaspiro[2.5]octane-6,7,8-triol

4-oxaspiro[2.5]octane-6,7,8-triol (PubChem CID 123215793) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 4-oxaspiro[2.5]octane-6,7,8-triol.

Molecular Properties

Compound Name4-oxaspiro[2.5]octane-6,7,8-triol
PubChem CID123215793
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name4-oxaspiro[2.5]octane-6,7,8-triol
SMILESOC1COC2(CC2)C(O)C1O
InChIInChI=1S/C7H12O4/c8-4-3-11-7(1-2-7)6(10)5(4)9/h4-6,8-10H,1-3H2
InChIKeyUONAEWLXSVUQKT-UHFFFAOYSA-N
XLogP-1.37
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxaspiro[2.5]octane-6,7,8-triol?
The IUPAC name of 4-oxaspiro[2.5]octane-6,7,8-triol (CID 123215793) is 4-oxaspiro[2.5]octane-6,7,8-triol.
What is the SMILES notation for 4-oxaspiro[2.5]octane-6,7,8-triol?
The canonical SMILES for 4-oxaspiro[2.5]octane-6,7,8-triol is OC1COC2(CC2)C(O)C1O.
What is the InChIKey of 4-oxaspiro[2.5]octane-6,7,8-triol?
The InChIKey is UONAEWLXSVUQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c8-4-3-11-7(1-2-7)6(10)5(4)9/h4-6,8-10H,1-3H2.
What are the key properties of 4-oxaspiro[2.5]octane-6,7,8-triol?
4-oxaspiro[2.5]octane-6,7,8-triol has a molecular weight of 160.17 g/mol, XLogP of -1.37, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxaspiro[2.5]octane-6,7,8-triol is sourced from PubChem (CID 123215793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).