1-bromo-5-methoxy-3-methylpentane

C7H15BrO — CID 65441023

IUPAC1-bromo-5-methoxy-3-methylpentane
SMILESCOCCC(C)CCBr
InChIInChI=1S/C7H15BrO/c1-7(3-5-8)4-6-9-2/h7H,3-6H2,1-2H3
InChIKeyOTJNTOYRFJKDOR-UHFFFAOYSA-N
MW195.10 g/mol
LogP2.44
Rot. Bonds5

About 1-bromo-5-methoxy-3-methylpentane

1-bromo-5-methoxy-3-methylpentane (PubChem CID 65441023) has the molecular formula C7H15BrO and a molecular weight of 195.10 g/mol. Its IUPAC name is 1-bromo-5-methoxy-3-methylpentane.

Molecular Properties

Compound Name1-bromo-5-methoxy-3-methylpentane
PubChem CID65441023
Molecular FormulaC7H15BrO
Molecular Weight195.10 g/mol
Exact Mass194.03
IUPAC Name1-bromo-5-methoxy-3-methylpentane
SMILESCOCCC(C)CCBr
InChIInChI=1S/C7H15BrO/c1-7(3-5-8)4-6-9-2/h7H,3-6H2,1-2H3
InChIKeyOTJNTOYRFJKDOR-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': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-methoxy-3-methylpentane?
The IUPAC name of 1-bromo-5-methoxy-3-methylpentane (CID 65441023) is 1-bromo-5-methoxy-3-methylpentane.
What is the SMILES notation for 1-bromo-5-methoxy-3-methylpentane?
The canonical SMILES for 1-bromo-5-methoxy-3-methylpentane is COCCC(C)CCBr.
What is the InChIKey of 1-bromo-5-methoxy-3-methylpentane?
The InChIKey is OTJNTOYRFJKDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrO/c1-7(3-5-8)4-6-9-2/h7H,3-6H2,1-2H3.
What are the key properties of 1-bromo-5-methoxy-3-methylpentane?
1-bromo-5-methoxy-3-methylpentane 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-bromo-5-methoxy-3-methylpentane is sourced from PubChem (CID 65441023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).