(1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene]

C11H12Br2O3 — CID 11279589

IUPAC(1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene]
SMILESC[C@]12C=C[C@](C)(O1)C1(OCCO1)C(Br)=C2Br
InChIInChI=1S/C11H12Br2O3/c1-9-3-4-10(2,16-9)11(8(13)7(9)12)14-5-6-15-11/h3-4H,5-6H2,1-2H3/t9-,10+/m1/s1
InChIKeyFDZNYBBUAHCUTA-ZJUUUORDSA-N
MW352.02 g/mol
LogP2.85
Rot. Bonds

About (1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene]

(1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene] (PubChem CID 11279589) has the molecular formula C11H12Br2O3 and a molecular weight of 352.02 g/mol. Its IUPAC name is (1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene].

Molecular Properties

Compound Name(1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene]
PubChem CID11279589
Molecular FormulaC11H12Br2O3
Molecular Weight352.02 g/mol
Exact Mass349.92
IUPAC Name(1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene]
SMILESC[C@]12C=C[C@](C)(O1)C1(OCCO1)C(Br)=C2Br
InChIInChI=1S/C11H12Br2O3/c1-9-3-4-10(2,16-9)11(8(13)7(9)12)14-5-6-15-11/h3-4H,5-6H2,1-2H3/t9-,10+/m1/s1
InChIKeyFDZNYBBUAHCUTA-ZJUUUORDSA-N
XLogP2.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.02
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene]?
The IUPAC name of (1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene] (CID 11279589) is (1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene].
What is the SMILES notation for (1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene]?
The canonical SMILES for (1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene] is C[C@]12C=C[C@](C)(O1)C1(OCCO1)C(Br)=C2Br.
What is the InChIKey of (1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene]?
The InChIKey is FDZNYBBUAHCUTA-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H12Br2O3/c1-9-3-4-10(2,16-9)11(8(13)7(9)12)14-5-6-15-11/h3-4H,5-6H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene]?
(1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene] has a molecular weight of 352.02 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5'S)-2',3'-dibromo-1',5'-dimethylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene] is sourced from PubChem (CID 11279589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).