1,6-dibromohexane-2,3,4,5-tetrol;2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane

C18H34Br2O10 — CID 174806183

About 1,6-dibromohexane-2,3,4,5-tetrol;2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane

1,6-dibromohexane-2,3,4,5-tetrol;2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane (PubChem CID 174806183) has the molecular formula C18H34Br2O10 and a molecular weight of 570.27 g/mol. Its IUPAC name is 1,6-dibromohexane-2,3,4,5-tetrol;2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane.

Molecular Properties

• Compound Name: 1,6-dibromohexane-2,3,4,5-tetrol;2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane
• PubChem CID: 174806183
• Molecular Formula: C18H34Br2O10
• Molecular Weight: 570.27 g/mol
• Exact Mass: 568.05
• IUPAC Name: 1,6-dibromohexane-2,3,4,5-tetrol;2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane
• SMILES: C(COCCOCC1CO1)OCCOCC1CO1.OC(CBr)C(O)C(O)C(O)CBr
• InChI: InChI=1S/C12H22O6.C6H12Br2O4/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12;7-1-3(9)5(11)6(12)4(10)2-8/h11-12H,1-10H2;3-6,9-12H,1-2H2
• InChIKey: UYCUNZCITOUJHL-UHFFFAOYSA-N
• XLogP: -0.93
• TPSA: 142.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.27
LogP ≤ 5	-0.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,6-dibromohexane-2,3,4,5-tetrol;2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane?

The IUPAC name of 1,6-dibromohexane-2,3,4,5-tetrol;2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane (CID 174806183) is 1,6-dibromohexane-2,3,4,5-tetrol;2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane.

What is the SMILES notation for 1,6-dibromohexane-2,3,4,5-tetrol;2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane?

The canonical SMILES for 1,6-dibromohexane-2,3,4,5-tetrol;2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane is C(COCCOCC1CO1)OCCOCC1CO1.OC(CBr)C(O)C(O)C(O)CBr.

What is the InChIKey of 1,6-dibromohexane-2,3,4,5-tetrol;2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane?

The InChIKey is UYCUNZCITOUJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O6.C6H12Br2O4/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12;7-1-3(9)5(11)6(12)4(10)2-8/h11-12H,1-10H2;3-6,9-12H,1-2H2.

What are the key properties of 1,6-dibromohexane-2,3,4,5-tetrol;2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane?

1,6-dibromohexane-2,3,4,5-tetrol;2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane has a molecular weight of 570.27 g/mol, XLogP of -0.93, 18 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,6-dibromohexane-2,3,4,5-tetrol;2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane is sourced from PubChem (CID 174806183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).