1-bromo-5-chloro-3,3-dimethylpentane

C7H14BrCl — CID 57231700

IUPAC1-bromo-5-chloro-3,3-dimethylpentane
SMILESCC(C)(CCCl)CCBr
InChIInChI=1S/C7H14BrCl/c1-7(2,3-5-8)4-6-9/h3-6H2,1-2H3
InChIKeyYEKOQAWIKQROAG-UHFFFAOYSA-N
MW213.55 g/mol
LogP3.43
Rot. Bonds4

About 1-bromo-5-chloro-3,3-dimethylpentane

1-bromo-5-chloro-3,3-dimethylpentane (PubChem CID 57231700) has the molecular formula C7H14BrCl and a molecular weight of 213.55 g/mol. Its IUPAC name is 1-bromo-5-chloro-3,3-dimethylpentane.

Molecular Properties

Compound Name1-bromo-5-chloro-3,3-dimethylpentane
PubChem CID57231700
Molecular FormulaC7H14BrCl
Molecular Weight213.55 g/mol
Exact Mass212.00
IUPAC Name1-bromo-5-chloro-3,3-dimethylpentane
SMILESCC(C)(CCCl)CCBr
InChIInChI=1S/C7H14BrCl/c1-7(2,3-5-8)4-6-9/h3-6H2,1-2H3
InChIKeyYEKOQAWIKQROAG-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.55
LogP ≤ 53.43
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-5-chloro-3,3-dimethylpentane?
The IUPAC name of 1-bromo-5-chloro-3,3-dimethylpentane (CID 57231700) is 1-bromo-5-chloro-3,3-dimethylpentane.
What is the SMILES notation for 1-bromo-5-chloro-3,3-dimethylpentane?
The canonical SMILES for 1-bromo-5-chloro-3,3-dimethylpentane is CC(C)(CCCl)CCBr.
What is the InChIKey of 1-bromo-5-chloro-3,3-dimethylpentane?
The InChIKey is YEKOQAWIKQROAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrCl/c1-7(2,3-5-8)4-6-9/h3-6H2,1-2H3.
What are the key properties of 1-bromo-5-chloro-3,3-dimethylpentane?
1-bromo-5-chloro-3,3-dimethylpentane has a molecular weight of 213.55 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-chloro-3,3-dimethylpentane is sourced from PubChem (CID 57231700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).