1,2-dioxaspiro[4.5]dec-6-en-8-ol

C8H12O3 — CID 89052308

IUPAC1,2-dioxaspiro[4.5]dec-6-en-8-ol
SMILESOC1C=CC2(CCOO2)CC1
InChIInChI=1S/C8H12O3/c9-7-1-3-8(4-2-7)5-6-10-11-8/h1,3,7,9H,2,4-6H2
InChIKeyVIQDWOUJHZUSGD-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.79
Rot. Bonds

About 1,2-dioxaspiro[4.5]dec-6-en-8-ol

1,2-dioxaspiro[4.5]dec-6-en-8-ol (PubChem CID 89052308) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1,2-dioxaspiro[4.5]dec-6-en-8-ol.

Molecular Properties

Compound Name1,2-dioxaspiro[4.5]dec-6-en-8-ol
PubChem CID89052308
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1,2-dioxaspiro[4.5]dec-6-en-8-ol
SMILESOC1C=CC2(CCOO2)CC1
InChIInChI=1S/C8H12O3/c9-7-1-3-8(4-2-7)5-6-10-11-8/h1,3,7,9H,2,4-6H2
InChIKeyVIQDWOUJHZUSGD-UHFFFAOYSA-N
XLogP0.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 1,2-dioxaspiro[4.5]dec-6-en-8-ol?
The IUPAC name of 1,2-dioxaspiro[4.5]dec-6-en-8-ol (CID 89052308) is 1,2-dioxaspiro[4.5]dec-6-en-8-ol.
What is the SMILES notation for 1,2-dioxaspiro[4.5]dec-6-en-8-ol?
The canonical SMILES for 1,2-dioxaspiro[4.5]dec-6-en-8-ol is OC1C=CC2(CCOO2)CC1.
What is the InChIKey of 1,2-dioxaspiro[4.5]dec-6-en-8-ol?
The InChIKey is VIQDWOUJHZUSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-7-1-3-8(4-2-7)5-6-10-11-8/h1,3,7,9H,2,4-6H2.
What are the key properties of 1,2-dioxaspiro[4.5]dec-6-en-8-ol?
1,2-dioxaspiro[4.5]dec-6-en-8-ol has a molecular weight of 156.18 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioxaspiro[4.5]dec-6-en-8-ol is sourced from PubChem (CID 89052308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).