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

C9H13BrO2 — CID 12780989

IUPAC7-bromo-6-methyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1=C(Br)CCCC12OCCO2
InChIInChI=1S/C9H13BrO2/c1-7-8(10)3-2-4-9(7)11-5-6-12-9/h2-6H2,1H3
InChIKeyVGMVIFBZCILMBL-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.58
Rot. Bonds

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

7-bromo-6-methyl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 12780989) has the molecular formula C9H13BrO2 and a molecular weight of 233.10 g/mol. Its IUPAC name is 7-bromo-6-methyl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name7-bromo-6-methyl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID12780989
Molecular FormulaC9H13BrO2
Molecular Weight233.10 g/mol
Exact Mass232.01
IUPAC Name7-bromo-6-methyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1=C(Br)CCCC12OCCO2
InChIInChI=1S/C9H13BrO2/c1-7-8(10)3-2-4-9(7)11-5-6-12-9/h2-6H2,1H3
InChIKeyVGMVIFBZCILMBL-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methyl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 7-bromo-6-methyl-1,4-dioxaspiro[4.5]dec-6-ene (CID 12780989) is 7-bromo-6-methyl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 7-bromo-6-methyl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 7-bromo-6-methyl-1,4-dioxaspiro[4.5]dec-6-ene is CC1=C(Br)CCCC12OCCO2.
What is the InChIKey of 7-bromo-6-methyl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is VGMVIFBZCILMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrO2/c1-7-8(10)3-2-4-9(7)11-5-6-12-9/h2-6H2,1H3.
What are the key properties of 7-bromo-6-methyl-1,4-dioxaspiro[4.5]dec-6-ene?
7-bromo-6-methyl-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 233.10 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methyl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 12780989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).