8-bromo-2,2-dimethyl-1,3-dioxaspiro[3.5]nona-5,7-diene

C9H11BrO2 — CID 67565515

IUPAC8-bromo-2,2-dimethyl-1,3-dioxaspiro[3.5]nona-5,7-diene
SMILESCC1(C)OC2(C=CC=C(Br)C2)O1
InChIInChI=1S/C9H11BrO2/c1-8(2)11-9(12-8)5-3-4-7(10)6-9/h3-5H,6H2,1-2H3
InChIKeyVEMLCURENOFRQB-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.70
Rot. Bonds

About 8-bromo-2,2-dimethyl-1,3-dioxaspiro[3.5]nona-5,7-diene

8-bromo-2,2-dimethyl-1,3-dioxaspiro[3.5]nona-5,7-diene (PubChem CID 67565515) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 8-bromo-2,2-dimethyl-1,3-dioxaspiro[3.5]nona-5,7-diene.

Molecular Properties

Compound Name8-bromo-2,2-dimethyl-1,3-dioxaspiro[3.5]nona-5,7-diene
PubChem CID67565515
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name8-bromo-2,2-dimethyl-1,3-dioxaspiro[3.5]nona-5,7-diene
SMILESCC1(C)OC2(C=CC=C(Br)C2)O1
InChIInChI=1S/C9H11BrO2/c1-8(2)11-9(12-8)5-3-4-7(10)6-9/h3-5H,6H2,1-2H3
InChIKeyVEMLCURENOFRQB-UHFFFAOYSA-N
XLogP2.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,2-dimethyl-1,3-dioxaspiro[3.5]nona-5,7-diene?
The IUPAC name of 8-bromo-2,2-dimethyl-1,3-dioxaspiro[3.5]nona-5,7-diene (CID 67565515) is 8-bromo-2,2-dimethyl-1,3-dioxaspiro[3.5]nona-5,7-diene.
What is the SMILES notation for 8-bromo-2,2-dimethyl-1,3-dioxaspiro[3.5]nona-5,7-diene?
The canonical SMILES for 8-bromo-2,2-dimethyl-1,3-dioxaspiro[3.5]nona-5,7-diene is CC1(C)OC2(C=CC=C(Br)C2)O1.
What is the InChIKey of 8-bromo-2,2-dimethyl-1,3-dioxaspiro[3.5]nona-5,7-diene?
The InChIKey is VEMLCURENOFRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-8(2)11-9(12-8)5-3-4-7(10)6-9/h3-5H,6H2,1-2H3.
What are the key properties of 8-bromo-2,2-dimethyl-1,3-dioxaspiro[3.5]nona-5,7-diene?
8-bromo-2,2-dimethyl-1,3-dioxaspiro[3.5]nona-5,7-diene has a molecular weight of 231.09 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,2-dimethyl-1,3-dioxaspiro[3.5]nona-5,7-diene is sourced from PubChem (CID 67565515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).