3,5-dibromo-5-(bromomethyl)furan-2-one;hexane

C11H17Br3O2 — CID 142103770

IUPAC3,5-dibromo-5-(bromomethyl)furan-2-one;hexane
SMILESCCCCCC.O=C1OC(Br)(CBr)C=C1Br
InChIInChI=1S/C6H14.C5H3Br3O2/c1-3-5-6-4-2;6-2-5(8)1-3(7)4(9)10-5/h3-6H2,1-2H3;1H,2H2
InChIKeyGDCMYYHNFNODPC-UHFFFAOYSA-N
MW420.97 g/mol
LogP4.89
Rot. Bonds4

About 3,5-dibromo-5-(bromomethyl)furan-2-one;hexane

3,5-dibromo-5-(bromomethyl)furan-2-one;hexane (PubChem CID 142103770) has the molecular formula C11H17Br3O2 and a molecular weight of 420.97 g/mol. Its IUPAC name is 3,5-dibromo-5-(bromomethyl)furan-2-one;hexane.

Molecular Properties

Compound Name3,5-dibromo-5-(bromomethyl)furan-2-one;hexane
PubChem CID142103770
Molecular FormulaC11H17Br3O2
Molecular Weight420.97 g/mol
Exact Mass417.88
IUPAC Name3,5-dibromo-5-(bromomethyl)furan-2-one;hexane
SMILESCCCCCC.O=C1OC(Br)(CBr)C=C1Br
InChIInChI=1S/C6H14.C5H3Br3O2/c1-3-5-6-4-2;6-2-5(8)1-3(7)4(9)10-5/h3-6H2,1-2H3;1H,2H2
InChIKeyGDCMYYHNFNODPC-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.97
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-5-(bromomethyl)furan-2-one;hexane?
The IUPAC name of 3,5-dibromo-5-(bromomethyl)furan-2-one;hexane (CID 142103770) is 3,5-dibromo-5-(bromomethyl)furan-2-one;hexane.
What is the SMILES notation for 3,5-dibromo-5-(bromomethyl)furan-2-one;hexane?
The canonical SMILES for 3,5-dibromo-5-(bromomethyl)furan-2-one;hexane is CCCCCC.O=C1OC(Br)(CBr)C=C1Br.
What is the InChIKey of 3,5-dibromo-5-(bromomethyl)furan-2-one;hexane?
The InChIKey is GDCMYYHNFNODPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C5H3Br3O2/c1-3-5-6-4-2;6-2-5(8)1-3(7)4(9)10-5/h3-6H2,1-2H3;1H,2H2.
What are the key properties of 3,5-dibromo-5-(bromomethyl)furan-2-one;hexane?
3,5-dibromo-5-(bromomethyl)furan-2-one;hexane has a molecular weight of 420.97 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-5-(bromomethyl)furan-2-one;hexane is sourced from PubChem (CID 142103770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).