1-bromo-3-(2-methoxyethyl)hexane

C9H19BrO — CID 158430243

IUPAC1-bromo-3-(2-methoxyethyl)hexane
SMILESCCCC(CCBr)CCOC
InChIInChI=1S/C9H19BrO/c1-3-4-9(5-7-10)6-8-11-2/h9H,3-8H2,1-2H3
InChIKeyHBOJNTYSCIEQFL-UHFFFAOYSA-N
MW223.15 g/mol
LogP3.22
Rot. Bonds7

About 1-bromo-3-(2-methoxyethyl)hexane

1-bromo-3-(2-methoxyethyl)hexane (PubChem CID 158430243) has the molecular formula C9H19BrO and a molecular weight of 223.15 g/mol. Its IUPAC name is 1-bromo-3-(2-methoxyethyl)hexane.

Molecular Properties

Compound Name1-bromo-3-(2-methoxyethyl)hexane
PubChem CID158430243
Molecular FormulaC9H19BrO
Molecular Weight223.15 g/mol
Exact Mass222.06
IUPAC Name1-bromo-3-(2-methoxyethyl)hexane
SMILESCCCC(CCBr)CCOC
InChIInChI=1S/C9H19BrO/c1-3-4-9(5-7-10)6-8-11-2/h9H,3-8H2,1-2H3
InChIKeyHBOJNTYSCIEQFL-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 53.22
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-3-(2-methoxyethyl)hexane?
The IUPAC name of 1-bromo-3-(2-methoxyethyl)hexane (CID 158430243) is 1-bromo-3-(2-methoxyethyl)hexane.
What is the SMILES notation for 1-bromo-3-(2-methoxyethyl)hexane?
The canonical SMILES for 1-bromo-3-(2-methoxyethyl)hexane is CCCC(CCBr)CCOC.
What is the InChIKey of 1-bromo-3-(2-methoxyethyl)hexane?
The InChIKey is HBOJNTYSCIEQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrO/c1-3-4-9(5-7-10)6-8-11-2/h9H,3-8H2,1-2H3.
What are the key properties of 1-bromo-3-(2-methoxyethyl)hexane?
1-bromo-3-(2-methoxyethyl)hexane has a molecular weight of 223.15 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-methoxyethyl)hexane is sourced from PubChem (CID 158430243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).