1-bromo-2-methoxyhexane

C7H15BrO — CID 524002

IUPAC1-bromo-2-methoxyhexane
SMILESCCCCC(CBr)OC
InChIInChI=1S/C7H15BrO/c1-3-4-5-7(6-8)9-2/h7H,3-6H2,1-2H3
InChIKeyCCRWCKSQBQNHJC-UHFFFAOYSA-N
MW195.10 g/mol
LogP2.59
Rot. Bonds5

About 1-bromo-2-methoxyhexane

1-bromo-2-methoxyhexane (PubChem CID 524002) has the molecular formula C7H15BrO and a molecular weight of 195.10 g/mol. Its IUPAC name is 1-bromo-2-methoxyhexane.

Molecular Properties

Compound Name1-bromo-2-methoxyhexane
PubChem CID524002
Molecular FormulaC7H15BrO
Molecular Weight195.10 g/mol
Exact Mass194.03
IUPAC Name1-bromo-2-methoxyhexane
SMILESCCCCC(CBr)OC
InChIInChI=1S/C7H15BrO/c1-3-4-5-7(6-8)9-2/h7H,3-6H2,1-2H3
InChIKeyCCRWCKSQBQNHJC-UHFFFAOYSA-N
XLogP2.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxyhexane?
The IUPAC name of 1-bromo-2-methoxyhexane (CID 524002) is 1-bromo-2-methoxyhexane.
What is the SMILES notation for 1-bromo-2-methoxyhexane?
The canonical SMILES for 1-bromo-2-methoxyhexane is CCCCC(CBr)OC.
What is the InChIKey of 1-bromo-2-methoxyhexane?
The InChIKey is CCRWCKSQBQNHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrO/c1-3-4-5-7(6-8)9-2/h7H,3-6H2,1-2H3.
What are the key properties of 1-bromo-2-methoxyhexane?
1-bromo-2-methoxyhexane has a molecular weight of 195.10 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methoxyhexane is sourced from PubChem (CID 524002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).