(E)-5,6-dibromo-2-methylhex-2-enoic acid

C7H10Br2O2 — CID 23617920

IUPAC(E)-5,6-dibromo-2-methylhex-2-enoic acid
SMILESC/C(=C\CC(Br)CBr)C(=O)O
InChIInChI=1S/C7H10Br2O2/c1-5(7(10)11)2-3-6(9)4-8/h2,6H,3-4H2,1H3,(H,10,11)/b5-2+
InChIKeyKIAVOVXJXGTXJF-GORDUTHDSA-N
MW285.96 g/mol
LogP2.57
Rot. Bonds4

About (E)-5,6-dibromo-2-methylhex-2-enoic acid

(E)-5,6-dibromo-2-methylhex-2-enoic acid (PubChem CID 23617920) has the molecular formula C7H10Br2O2 and a molecular weight of 285.96 g/mol. Its IUPAC name is (E)-5,6-dibromo-2-methylhex-2-enoic acid.

Molecular Properties

Compound Name(E)-5,6-dibromo-2-methylhex-2-enoic acid
PubChem CID23617920
Molecular FormulaC7H10Br2O2
Molecular Weight285.96 g/mol
Exact Mass283.90
IUPAC Name(E)-5,6-dibromo-2-methylhex-2-enoic acid
SMILESC/C(=C\CC(Br)CBr)C(=O)O
InChIInChI=1S/C7H10Br2O2/c1-5(7(10)11)2-3-6(9)4-8/h2,6H,3-4H2,1H3,(H,10,11)/b5-2+
InChIKeyKIAVOVXJXGTXJF-GORDUTHDSA-N
XLogP2.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.96
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5,6-dibromo-2-methylhex-2-enoic acid?
The IUPAC name of (E)-5,6-dibromo-2-methylhex-2-enoic acid (CID 23617920) is (E)-5,6-dibromo-2-methylhex-2-enoic acid.
What is the SMILES notation for (E)-5,6-dibromo-2-methylhex-2-enoic acid?
The canonical SMILES for (E)-5,6-dibromo-2-methylhex-2-enoic acid is C/C(=C\CC(Br)CBr)C(=O)O.
What is the InChIKey of (E)-5,6-dibromo-2-methylhex-2-enoic acid?
The InChIKey is KIAVOVXJXGTXJF-GORDUTHDSA-N. The full InChI is InChI=1S/C7H10Br2O2/c1-5(7(10)11)2-3-6(9)4-8/h2,6H,3-4H2,1H3,(H,10,11)/b5-2+.
What are the key properties of (E)-5,6-dibromo-2-methylhex-2-enoic acid?
(E)-5,6-dibromo-2-methylhex-2-enoic acid has a molecular weight of 285.96 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,6-dibromo-2-methylhex-2-enoic acid is sourced from PubChem (CID 23617920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).