8-bromo-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione

C10H9BrO4 — CID 11346329

IUPAC8-bromo-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione
SMILESCC1(C)OC2(C=CC(Br)=CC2=O)OC1=O
InChIInChI=1S/C10H9BrO4/c1-9(2)8(13)14-10(15-9)4-3-6(11)5-7(10)12/h3-5H,1-2H3
InChIKeyVSCRYLQWQYYZCX-UHFFFAOYSA-N
MW273.08 g/mol
LogP1.45
Rot. Bonds

About 8-bromo-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione

8-bromo-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione (PubChem CID 11346329) has the molecular formula C10H9BrO4 and a molecular weight of 273.08 g/mol. Its IUPAC name is 8-bromo-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione.

Molecular Properties

Compound Name8-bromo-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione
PubChem CID11346329
Molecular FormulaC10H9BrO4
Molecular Weight273.08 g/mol
Exact Mass271.97
IUPAC Name8-bromo-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione
SMILESCC1(C)OC2(C=CC(Br)=CC2=O)OC1=O
InChIInChI=1S/C10H9BrO4/c1-9(2)8(13)14-10(15-9)4-3-6(11)5-7(10)12/h3-5H,1-2H3
InChIKeyVSCRYLQWQYYZCX-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Bromo-4-(1,3-dioxolan-2-yl)-6,6-dimethoxycyclohexa-2,4-dien-1-one
CID 11055864
6,6-Dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one
CID 11096713
8-Bromo-6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one
CID 11347722
(5S)-9-bromo-8-propan-2-yl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione
CID 162401658
9-Bromo-6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one
CID 11186231
8-Bromo-3,3,8-trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one
CID 12564098
(1-Acetyloxy-3-bromo-5-methyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 85912101

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione?
The IUPAC name of 8-bromo-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione (CID 11346329) is 8-bromo-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione.
What is the SMILES notation for 8-bromo-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione?
The canonical SMILES for 8-bromo-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione is CC1(C)OC2(C=CC(Br)=CC2=O)OC1=O.
What is the InChIKey of 8-bromo-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione?
The InChIKey is VSCRYLQWQYYZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO4/c1-9(2)8(13)14-10(15-9)4-3-6(11)5-7(10)12/h3-5H,1-2H3.
What are the key properties of 8-bromo-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione?
8-bromo-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione has a molecular weight of 273.08 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione is sourced from PubChem (CID 11346329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).