1-bromo-2-(bromomethyl)pentane

C6H12Br2 — CID 19748706

IUPAC1-bromo-2-(bromomethyl)pentane
SMILESCCCC(CBr)CBr
InChIInChI=1S/C6H12Br2/c1-2-3-6(4-7)5-8/h6H,2-5H2,1H3
InChIKeyGIHLNZRKIMYHEE-UHFFFAOYSA-N
MW243.97 g/mol
LogP3.19
Rot. Bonds4

About 1-bromo-2-(bromomethyl)pentane

1-bromo-2-(bromomethyl)pentane (PubChem CID 19748706) has the molecular formula C6H12Br2 and a molecular weight of 243.97 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)pentane.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)pentane
PubChem CID19748706
Molecular FormulaC6H12Br2
Molecular Weight243.97 g/mol
Exact Mass241.93
IUPAC Name1-bromo-2-(bromomethyl)pentane
SMILESCCCC(CBr)CBr
InChIInChI=1S/C6H12Br2/c1-2-3-6(4-7)5-8/h6H,2-5H2,1H3
InChIKeyGIHLNZRKIMYHEE-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.97
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(bromomethyl)pentane?
The IUPAC name of 1-bromo-2-(bromomethyl)pentane (CID 19748706) is 1-bromo-2-(bromomethyl)pentane.
What is the SMILES notation for 1-bromo-2-(bromomethyl)pentane?
The canonical SMILES for 1-bromo-2-(bromomethyl)pentane is CCCC(CBr)CBr.
What is the InChIKey of 1-bromo-2-(bromomethyl)pentane?
The InChIKey is GIHLNZRKIMYHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Br2/c1-2-3-6(4-7)5-8/h6H,2-5H2,1H3.
What are the key properties of 1-bromo-2-(bromomethyl)pentane?
1-bromo-2-(bromomethyl)pentane has a molecular weight of 243.97 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)pentane is sourced from PubChem (CID 19748706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).