1,5-dibromo-2,2-dimethylpentane

C7H14Br2 — CID 121375961

IUPAC1,5-dibromo-2,2-dimethylpentane
SMILESCC(C)(CBr)CCCBr
InChIInChI=1S/C7H14Br2/c1-7(2,6-9)4-3-5-8/h3-6H2,1-2H3
InChIKeyQUSOWLBEIYVWOD-UHFFFAOYSA-N
MW258.00 g/mol
LogP3.58
Rot. Bonds4

About 1,5-dibromo-2,2-dimethylpentane

1,5-dibromo-2,2-dimethylpentane (PubChem CID 121375961) has the molecular formula C7H14Br2 and a molecular weight of 258.00 g/mol. Its IUPAC name is 1,5-dibromo-2,2-dimethylpentane.

Molecular Properties

Compound Name1,5-dibromo-2,2-dimethylpentane
PubChem CID121375961
Molecular FormulaC7H14Br2
Molecular Weight258.00 g/mol
Exact Mass255.95
IUPAC Name1,5-dibromo-2,2-dimethylpentane
SMILESCC(C)(CBr)CCCBr
InChIInChI=1S/C7H14Br2/c1-7(2,6-9)4-3-5-8/h3-6H2,1-2H3
InChIKeyQUSOWLBEIYVWOD-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.00
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2,2-dimethyldecane
CID 66048838
9-bromo-6,6-dimethylnon-1-ene
CID 170848048
1-bromo-4-fluoro-4-methylpentane
CID 19966831
1,5-dibromo-3,3-dimethylpentane
CID 12842710
1-bromo-7,7-dimethyloctane
CID 18985391
1,1,1,4-tetrabromobutane
CID 12696456
8-bromo-4,4-dimethyloctanoic acid
CID 176602791
1,7-dibromo-4,4-dichloroheptane
CID 154156689
1-bromo-4-methyl-4-nitropentane
CID 129186083
5-bromo-4,4-dimethylpentan-2-amine
CID 126606470
9-bromo-2-methylnonan-2-ol
CID 139625731
1,5-dibromo-3-(2-bromoethyl)-3-methylpentane
CID 13088376

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2,2-dimethylpentane?
The IUPAC name of 1,5-dibromo-2,2-dimethylpentane (CID 121375961) is 1,5-dibromo-2,2-dimethylpentane.
What is the SMILES notation for 1,5-dibromo-2,2-dimethylpentane?
The canonical SMILES for 1,5-dibromo-2,2-dimethylpentane is CC(C)(CBr)CCCBr.
What is the InChIKey of 1,5-dibromo-2,2-dimethylpentane?
The InChIKey is QUSOWLBEIYVWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Br2/c1-7(2,6-9)4-3-5-8/h3-6H2,1-2H3.
What are the key properties of 1,5-dibromo-2,2-dimethylpentane?
1,5-dibromo-2,2-dimethylpentane has a molecular weight of 258.00 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2,2-dimethylpentane is sourced from PubChem (CID 121375961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).