spiro[3H-1,2-dioxine-6,5'-3aH-furo[2,3-d][1,3]dioxole]-3,6'-diol

C8H8O7 — CID 90234079

IUPACspiro[3H-1,2-dioxine-6,5'-3aH-furo[2,3-d][1,3]dioxole]-3,6'-diol
SMILESOC1=C2OCOC2OC12C=CC(O)OO2
InChIInChI=1S/C8H8O7/c9-4-1-2-8(15-14-4)6(10)5-7(13-8)12-3-11-5/h1-2,4,7,9-10H,3H2
InChIKeyOOYWVFJANCAWRO-UHFFFAOYSA-N
MW216.14 g/mol
LogP-0.35
Rot. Bonds

About spiro[3H-1,2-dioxine-6,5'-3aH-furo[2,3-d][1,3]dioxole]-3,6'-diol

spiro[3H-1,2-dioxine-6,5'-3aH-furo[2,3-d][1,3]dioxole]-3,6'-diol (PubChem CID 90234079) has the molecular formula C8H8O7 and a molecular weight of 216.14 g/mol. Its IUPAC name is spiro[3H-1,2-dioxine-6,5'-3aH-furo[2,3-d][1,3]dioxole]-3,6'-diol.

Molecular Properties

Compound Namespiro[3H-1,2-dioxine-6,5'-3aH-furo[2,3-d][1,3]dioxole]-3,6'-diol
PubChem CID90234079
Molecular FormulaC8H8O7
Molecular Weight216.14 g/mol
Exact Mass216.03
IUPAC Namespiro[3H-1,2-dioxine-6,5'-3aH-furo[2,3-d][1,3]dioxole]-3,6'-diol
SMILESOC1=C2OCOC2OC12C=CC(O)OO2
InChIInChI=1S/C8H8O7/c9-4-1-2-8(15-14-4)6(10)5-7(13-8)12-3-11-5/h1-2,4,7,9-10H,3H2
InChIKeyOOYWVFJANCAWRO-UHFFFAOYSA-N
XLogP-0.35
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.14
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[3H-1,2-dioxine-6,5'-3aH-furo[2,3-d][1,3]dioxole]-3,6'-diol?
The IUPAC name of spiro[3H-1,2-dioxine-6,5'-3aH-furo[2,3-d][1,3]dioxole]-3,6'-diol (CID 90234079) is spiro[3H-1,2-dioxine-6,5'-3aH-furo[2,3-d][1,3]dioxole]-3,6'-diol.
What is the SMILES notation for spiro[3H-1,2-dioxine-6,5'-3aH-furo[2,3-d][1,3]dioxole]-3,6'-diol?
The canonical SMILES for spiro[3H-1,2-dioxine-6,5'-3aH-furo[2,3-d][1,3]dioxole]-3,6'-diol is OC1=C2OCOC2OC12C=CC(O)OO2.
What is the InChIKey of spiro[3H-1,2-dioxine-6,5'-3aH-furo[2,3-d][1,3]dioxole]-3,6'-diol?
The InChIKey is OOYWVFJANCAWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O7/c9-4-1-2-8(15-14-4)6(10)5-7(13-8)12-3-11-5/h1-2,4,7,9-10H,3H2.
What are the key properties of spiro[3H-1,2-dioxine-6,5'-3aH-furo[2,3-d][1,3]dioxole]-3,6'-diol?
spiro[3H-1,2-dioxine-6,5'-3aH-furo[2,3-d][1,3]dioxole]-3,6'-diol has a molecular weight of 216.14 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-1,2-dioxine-6,5'-3aH-furo[2,3-d][1,3]dioxole]-3,6'-diol is sourced from PubChem (CID 90234079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).