1-(2-bromoethoxy)-3-methylbutane

C7H15BrO — CID 24688567

IUPAC1-(2-bromoethoxy)-3-methylbutane
SMILESCC(C)CCOCCBr
InChIInChI=1S/C7H15BrO/c1-7(2)3-5-9-6-4-8/h7H,3-6H2,1-2H3
InChIKeyDSQWYUVUGUHMMQ-UHFFFAOYSA-N
MW195.10 g/mol
LogP2.44
Rot. Bonds5

About 1-(2-bromoethoxy)-3-methylbutane

1-(2-bromoethoxy)-3-methylbutane (PubChem CID 24688567) has the molecular formula C7H15BrO and a molecular weight of 195.10 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-3-methylbutane.

Molecular Properties

Compound Name1-(2-bromoethoxy)-3-methylbutane
PubChem CID24688567
Molecular FormulaC7H15BrO
Molecular Weight195.10 g/mol
Exact Mass194.03
IUPAC Name1-(2-bromoethoxy)-3-methylbutane
SMILESCC(C)CCOCCBr
InChIInChI=1S/C7H15BrO/c1-7(2)3-5-9-6-4-8/h7H,3-6H2,1-2H3
InChIKeyDSQWYUVUGUHMMQ-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-3-methylbutane?
The IUPAC name of 1-(2-bromoethoxy)-3-methylbutane (CID 24688567) is 1-(2-bromoethoxy)-3-methylbutane.
What is the SMILES notation for 1-(2-bromoethoxy)-3-methylbutane?
The canonical SMILES for 1-(2-bromoethoxy)-3-methylbutane is CC(C)CCOCCBr.
What is the InChIKey of 1-(2-bromoethoxy)-3-methylbutane?
The InChIKey is DSQWYUVUGUHMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrO/c1-7(2)3-5-9-6-4-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-(2-bromoethoxy)-3-methylbutane?
1-(2-bromoethoxy)-3-methylbutane has a molecular weight of 195.10 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-3-methylbutane is sourced from PubChem (CID 24688567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).