8-bromo-1,4-dioxaspiro[4.5]dec-6-ene

C8H11BrO2 — CID 11053147

IUPAC8-bromo-1,4-dioxaspiro[4.5]dec-6-ene
SMILESBrC1C=CC2(CC1)OCCO2
InChIInChI=1S/C8H11BrO2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1,3,7H,2,4-6H2
InChIKeyARKANRZGGFJKOQ-UHFFFAOYSA-N
MW219.08 g/mol
LogP1.84
Rot. Bonds

About 8-bromo-1,4-dioxaspiro[4.5]dec-6-ene

8-bromo-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 11053147) has the molecular formula C8H11BrO2 and a molecular weight of 219.08 g/mol. Its IUPAC name is 8-bromo-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name8-bromo-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID11053147
Molecular FormulaC8H11BrO2
Molecular Weight219.08 g/mol
Exact Mass217.99
IUPAC Name8-bromo-1,4-dioxaspiro[4.5]dec-6-ene
SMILESBrC1C=CC2(CC1)OCCO2
InChIInChI=1S/C8H11BrO2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1,3,7H,2,4-6H2
InChIKeyARKANRZGGFJKOQ-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 8-bromo-1,4-dioxaspiro[4.5]dec-6-ene (CID 11053147) is 8-bromo-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 8-bromo-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 8-bromo-1,4-dioxaspiro[4.5]dec-6-ene is BrC1C=CC2(CC1)OCCO2.
What is the InChIKey of 8-bromo-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is ARKANRZGGFJKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1,3,7H,2,4-6H2.
What are the key properties of 8-bromo-1,4-dioxaspiro[4.5]dec-6-ene?
8-bromo-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 219.08 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 11053147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).