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

C8H11BrO2 — CID 13278572

IUPAC7-bromo-1,4-dioxaspiro[4.5]dec-6-ene
SMILESBrC1=CC2(CCC1)OCCO2
InChIInChI=1S/C8H11BrO2/c9-7-2-1-3-8(6-7)10-4-5-11-8/h6H,1-5H2
InChIKeyYIBRYOMRPGYLMU-UHFFFAOYSA-N
MW219.08 g/mol
LogP2.19
Rot. Bonds

About 7-bromo-1,4-dioxaspiro[4.5]dec-6-ene

7-bromo-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 13278572) has the molecular formula C8H11BrO2 and a molecular weight of 219.08 g/mol. Its IUPAC name is 7-bromo-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name7-bromo-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID13278572
Molecular FormulaC8H11BrO2
Molecular Weight219.08 g/mol
Exact Mass217.99
IUPAC Name7-bromo-1,4-dioxaspiro[4.5]dec-6-ene
SMILESBrC1=CC2(CCC1)OCCO2
InChIInChI=1S/C8H11BrO2/c9-7-2-1-3-8(6-7)10-4-5-11-8/h6H,1-5H2
InChIKeyYIBRYOMRPGYLMU-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 7-bromo-1,4-dioxaspiro[4.5]dec-6-ene (CID 13278572) is 7-bromo-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 7-bromo-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 7-bromo-1,4-dioxaspiro[4.5]dec-6-ene is BrC1=CC2(CCC1)OCCO2.
What is the InChIKey of 7-bromo-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is YIBRYOMRPGYLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO2/c9-7-2-1-3-8(6-7)10-4-5-11-8/h6H,1-5H2.
What are the key properties of 7-bromo-1,4-dioxaspiro[4.5]dec-6-ene?
7-bromo-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 219.08 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 13278572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).