2-(6-bromohexyl)oxirane

C8H15BrO — CID 10655924

IUPAC2-(6-bromohexyl)oxirane
SMILESBrCCCCCCC1CO1
InChIInChI=1S/C8H15BrO/c9-6-4-2-1-3-5-8-7-10-8/h8H,1-7H2
InChIKeyCSOJDWCBTXEKGP-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.73
Rot. Bonds6

About 2-(6-bromohexyl)oxirane

2-(6-bromohexyl)oxirane (PubChem CID 10655924) has the molecular formula C8H15BrO and a molecular weight of 207.11 g/mol. Its IUPAC name is 2-(6-bromohexyl)oxirane.

Molecular Properties

Compound Name2-(6-bromohexyl)oxirane
PubChem CID10655924
Molecular FormulaC8H15BrO
Molecular Weight207.11 g/mol
Exact Mass206.03
IUPAC Name2-(6-bromohexyl)oxirane
SMILESBrCCCCCCC1CO1
InChIInChI=1S/C8H15BrO/c9-6-4-2-1-3-5-8-7-10-8/h8H,1-7H2
InChIKeyCSOJDWCBTXEKGP-UHFFFAOYSA-N
XLogP2.73
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromohexyl)oxirane?
The IUPAC name of 2-(6-bromohexyl)oxirane (CID 10655924) is 2-(6-bromohexyl)oxirane.
What is the SMILES notation for 2-(6-bromohexyl)oxirane?
The canonical SMILES for 2-(6-bromohexyl)oxirane is BrCCCCCCC1CO1.
What is the InChIKey of 2-(6-bromohexyl)oxirane?
The InChIKey is CSOJDWCBTXEKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO/c9-6-4-2-1-3-5-8-7-10-8/h8H,1-7H2.
What are the key properties of 2-(6-bromohexyl)oxirane?
2-(6-bromohexyl)oxirane has a molecular weight of 207.11 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromohexyl)oxirane is sourced from PubChem (CID 10655924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).