2-(6-bromohexoxymethyl)furan

C11H17BrO2 — CID 86031197

IUPAC2-(6-bromohexoxymethyl)furan
SMILESBrCCCCCCOCc1ccco1
InChIInChI=1S/C11H17BrO2/c12-7-3-1-2-4-8-13-10-11-6-5-9-14-11/h5-6,9H,1-4,7-8,10H2
InChIKeyQKIOMCFEPWIJCG-UHFFFAOYSA-N
MW261.16 g/mol
LogP3.75
Rot. Bonds8

About 2-(6-bromohexoxymethyl)furan

2-(6-bromohexoxymethyl)furan (PubChem CID 86031197) has the molecular formula C11H17BrO2 and a molecular weight of 261.16 g/mol. Its IUPAC name is 2-(6-bromohexoxymethyl)furan.

Molecular Properties

Compound Name2-(6-bromohexoxymethyl)furan
PubChem CID86031197
Molecular FormulaC11H17BrO2
Molecular Weight261.16 g/mol
Exact Mass260.04
IUPAC Name2-(6-bromohexoxymethyl)furan
SMILESBrCCCCCCOCc1ccco1
InChIInChI=1S/C11H17BrO2/c12-7-3-1-2-4-8-13-10-11-6-5-9-14-11/h5-6,9H,1-4,7-8,10H2
InChIKeyQKIOMCFEPWIJCG-UHFFFAOYSA-N
XLogP3.75
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 53.75
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 2-(6-bromohexoxymethyl)furan?
The IUPAC name of 2-(6-bromohexoxymethyl)furan (CID 86031197) is 2-(6-bromohexoxymethyl)furan.
What is the SMILES notation for 2-(6-bromohexoxymethyl)furan?
The canonical SMILES for 2-(6-bromohexoxymethyl)furan is BrCCCCCCOCc1ccco1.
What is the InChIKey of 2-(6-bromohexoxymethyl)furan?
The InChIKey is QKIOMCFEPWIJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO2/c12-7-3-1-2-4-8-13-10-11-6-5-9-14-11/h5-6,9H,1-4,7-8,10H2.
What are the key properties of 2-(6-bromohexoxymethyl)furan?
2-(6-bromohexoxymethyl)furan has a molecular weight of 261.16 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromohexoxymethyl)furan is sourced from PubChem (CID 86031197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).