1,5-dibromo-3,3-dimethylpentane

C7H14Br2 — CID 12842710

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

About 1,5-dibromo-3,3-dimethylpentane

1,5-dibromo-3,3-dimethylpentane (PubChem CID 12842710) has the molecular formula C7H14Br2 and a molecular weight of 258.00 g/mol. Its IUPAC name is 1,5-dibromo-3,3-dimethylpentane.

Molecular Properties

Compound Name1,5-dibromo-3,3-dimethylpentane
PubChem CID12842710
Molecular FormulaC7H14Br2
Molecular Weight258.00 g/mol
Exact Mass255.95
IUPAC Name1,5-dibromo-3,3-dimethylpentane
SMILESCC(C)(CCBr)CCBr
InChIInChI=1S/C7H14Br2/c1-7(2,3-5-8)4-6-9/h3-6H2,1-2H3
InChIKeyRITBDIOQNLAQSN-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

1,5-dibromo-3-(2-bromoethyl)-3-methylpentane
CID 13088376
1-bromo-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 129235269
1,5-dibromo-2,2-dimethylpentane
CID 121375961
tert-butyl 5-bromo-3,3-dimethylpentanoate
CID 167718322
9-bromo-6,6-dimethylnon-1-ene
CID 170848048
azane;1-bromo-3,3-diethylpentane
CID 174530333
8-bromo-4,4-dimethyloctanoic acid
CID 176602791
1-bromopentane-3,3-diol
CID 141205989
1-bromo-7,7-dimethyloctane
CID 18985391
1-bromo-4-fluoro-4-methylpentane
CID 19966831
N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide
CID 106145688
N-(4-bromo-2,2-dimethylbutyl)-2-methylsulfonylpropanamide
CID 106143542

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-3,3-dimethylpentane?
The IUPAC name of 1,5-dibromo-3,3-dimethylpentane (CID 12842710) is 1,5-dibromo-3,3-dimethylpentane.
What is the SMILES notation for 1,5-dibromo-3,3-dimethylpentane?
The canonical SMILES for 1,5-dibromo-3,3-dimethylpentane is CC(C)(CCBr)CCBr.
What is the InChIKey of 1,5-dibromo-3,3-dimethylpentane?
The InChIKey is RITBDIOQNLAQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Br2/c1-7(2,3-5-8)4-6-9/h3-6H2,1-2H3.
What are the key properties of 1,5-dibromo-3,3-dimethylpentane?
1,5-dibromo-3,3-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-3,3-dimethylpentane is sourced from PubChem (CID 12842710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).