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

C8H11BrO2 — CID 11074872

IUPAC6-bromo-1,4-dioxaspiro[4.5]dec-6-ene
SMILESBrC1=CCCCC12OCCO2
InChIInChI=1S/C8H11BrO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h3H,1-2,4-6H2
InChIKeyQLTHAAHXQAPEKV-UHFFFAOYSA-N
MW219.08 g/mol
LogP2.19
Rot. Bonds

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

6-bromo-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 11074872) has the molecular formula C8H11BrO2 and a molecular weight of 219.08 g/mol. Its IUPAC name is 6-bromo-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name6-bromo-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID11074872
Molecular FormulaC8H11BrO2
Molecular Weight219.08 g/mol
Exact Mass217.99
IUPAC Name6-bromo-1,4-dioxaspiro[4.5]dec-6-ene
SMILESBrC1=CCCCC12OCCO2
InChIInChI=1S/C8H11BrO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h3H,1-2,4-6H2
InChIKeyQLTHAAHXQAPEKV-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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Related Compounds

7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 10900522
1,4-Dioxaspiro[4.5]dec-6-ene
CID 559316
6-Bromo-1,4-dioxaspiro[4.4]non-6-ene
CID 10998143
7-Bromo-1,4-dioxaspiro[4.5]dec-7-ene
CID 12749920
8-Bromo-1,4-dioxaspiro[4.4]non-6-ene
CID 15565549
7-Bromo-6-methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 12780989
8-Bromo-1,4-dioxa-spiro[4.5]dec-7-ene
CID 122402988
(3aR,7aR)-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 827464
CID 4217713
CID 4217713
8-Bromo-1,4-dioxaspiro[4.5]dec-6-ene
CID 11053147
6-Bromo-7-methyl-1,4-dioxaspiro[4.4]non-6-ene
CID 12454208
7-Bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole;ethane
CID 143892806

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 6-bromo-1,4-dioxaspiro[4.5]dec-6-ene (CID 11074872) is 6-bromo-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 6-bromo-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 6-bromo-1,4-dioxaspiro[4.5]dec-6-ene is BrC1=CCCCC12OCCO2.
What is the InChIKey of 6-bromo-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is QLTHAAHXQAPEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h3H,1-2,4-6H2.
What are the key properties of 6-bromo-1,4-dioxaspiro[4.5]dec-6-ene?
6-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 6-bromo-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 11074872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).