9-bromo-1,4-dioxaspiro[4.4]non-8-ene

C7H9BrO2 — CID 10998143

IUPAC9-bromo-1,4-dioxaspiro[4.4]non-8-ene
SMILESBrC1=CCCC12OCCO2
InChIInChI=1S/C7H9BrO2/c8-6-2-1-3-7(6)9-4-5-10-7/h2H,1,3-5H2
InChIKeyYRXLQJUTOBAVNV-UHFFFAOYSA-N
MW205.05 g/mol
LogP1.80
Rot. Bonds

About 9-bromo-1,4-dioxaspiro[4.4]non-8-ene

9-bromo-1,4-dioxaspiro[4.4]non-8-ene (PubChem CID 10998143) has the molecular formula C7H9BrO2 and a molecular weight of 205.05 g/mol. Its IUPAC name is 9-bromo-1,4-dioxaspiro[4.4]non-8-ene.

Molecular Properties

Compound Name9-bromo-1,4-dioxaspiro[4.4]non-8-ene
PubChem CID10998143
Molecular FormulaC7H9BrO2
Molecular Weight205.05 g/mol
Exact Mass203.98
IUPAC Name9-bromo-1,4-dioxaspiro[4.4]non-8-ene
SMILESBrC1=CCCC12OCCO2
InChIInChI=1S/C7H9BrO2/c8-6-2-1-3-7(6)9-4-5-10-7/h2H,1,3-5H2
InChIKeyYRXLQJUTOBAVNV-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-1,4-dioxaspiro[4.4]non-8-ene?
The IUPAC name of 9-bromo-1,4-dioxaspiro[4.4]non-8-ene (CID 10998143) is 9-bromo-1,4-dioxaspiro[4.4]non-8-ene.
What is the SMILES notation for 9-bromo-1,4-dioxaspiro[4.4]non-8-ene?
The canonical SMILES for 9-bromo-1,4-dioxaspiro[4.4]non-8-ene is BrC1=CCCC12OCCO2.
What is the InChIKey of 9-bromo-1,4-dioxaspiro[4.4]non-8-ene?
The InChIKey is YRXLQJUTOBAVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrO2/c8-6-2-1-3-7(6)9-4-5-10-7/h2H,1,3-5H2.
What are the key properties of 9-bromo-1,4-dioxaspiro[4.4]non-8-ene?
9-bromo-1,4-dioxaspiro[4.4]non-8-ene has a molecular weight of 205.05 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-1,4-dioxaspiro[4.4]non-8-ene is sourced from PubChem (CID 10998143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).