4-bromo-2-(1,1-dibromopent-1-en-2-yl)-2H-furan-5-one

C9H9Br3O2 — CID 87947692

IUPAC4-bromo-2-(1,1-dibromopent-1-en-2-yl)-2H-furan-5-one
SMILESCCCC(=C(Br)Br)C1C=C(Br)C(=O)O1
InChIInChI=1S/C9H9Br3O2/c1-2-3-5(8(11)12)7-4-6(10)9(13)14-7/h4,7H,2-3H2,1H3
InChIKeyMBPYKNABXZKXQX-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.99
Rot. Bonds3

About 4-bromo-2-(1,1-dibromopent-1-en-2-yl)-2H-furan-5-one

4-bromo-2-(1,1-dibromopent-1-en-2-yl)-2H-furan-5-one (PubChem CID 87947692) has the molecular formula C9H9Br3O2 and a molecular weight of 388.88 g/mol. Its IUPAC name is 4-bromo-2-(1,1-dibromopent-1-en-2-yl)-2H-furan-5-one.

Molecular Properties

Compound Name4-bromo-2-(1,1-dibromopent-1-en-2-yl)-2H-furan-5-one
PubChem CID87947692
Molecular FormulaC9H9Br3O2
Molecular Weight388.88 g/mol
Exact Mass385.82
IUPAC Name4-bromo-2-(1,1-dibromopent-1-en-2-yl)-2H-furan-5-one
SMILESCCCC(=C(Br)Br)C1C=C(Br)C(=O)O1
InChIInChI=1S/C9H9Br3O2/c1-2-3-5(8(11)12)7-4-6(10)9(13)14-7/h4,7H,2-3H2,1H3
InChIKeyMBPYKNABXZKXQX-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1,1-dibromopent-1-en-2-yl)-2H-furan-5-one?
The IUPAC name of 4-bromo-2-(1,1-dibromopent-1-en-2-yl)-2H-furan-5-one (CID 87947692) is 4-bromo-2-(1,1-dibromopent-1-en-2-yl)-2H-furan-5-one.
What is the SMILES notation for 4-bromo-2-(1,1-dibromopent-1-en-2-yl)-2H-furan-5-one?
The canonical SMILES for 4-bromo-2-(1,1-dibromopent-1-en-2-yl)-2H-furan-5-one is CCCC(=C(Br)Br)C1C=C(Br)C(=O)O1.
What is the InChIKey of 4-bromo-2-(1,1-dibromopent-1-en-2-yl)-2H-furan-5-one?
The InChIKey is MBPYKNABXZKXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br3O2/c1-2-3-5(8(11)12)7-4-6(10)9(13)14-7/h4,7H,2-3H2,1H3.
What are the key properties of 4-bromo-2-(1,1-dibromopent-1-en-2-yl)-2H-furan-5-one?
4-bromo-2-(1,1-dibromopent-1-en-2-yl)-2H-furan-5-one has a molecular weight of 388.88 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1,1-dibromopent-1-en-2-yl)-2H-furan-5-one is sourced from PubChem (CID 87947692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).