1,1-dibromo-3,3-dimethylpentane

C7H14Br2 — CID 19884394

IUPAC1,1-dibromo-3,3-dimethylpentane
SMILESCCC(C)(C)CC(Br)Br
InChIInChI=1S/C7H14Br2/c1-4-7(2,3)5-6(8)9/h6H,4-5H2,1-3H3
InChIKeyMHQKJVNXLPHAFE-UHFFFAOYSA-N
MW258.00 g/mol
LogP3.93
Rot. Bonds3

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

1,1-dibromo-3,3-dimethylpentane (PubChem CID 19884394) has the molecular formula C7H14Br2 and a molecular weight of 258.00 g/mol. Its IUPAC name is 1,1-dibromo-3,3-dimethylpentane.

Molecular Properties

Compound Name1,1-dibromo-3,3-dimethylpentane
PubChem CID19884394
Molecular FormulaC7H14Br2
Molecular Weight258.00 g/mol
Exact Mass255.95
IUPAC Name1,1-dibromo-3,3-dimethylpentane
SMILESCCC(C)(C)CC(Br)Br
InChIInChI=1S/C7H14Br2/c1-4-7(2,3)5-6(8)9/h6H,4-5H2,1-3H3
InChIKeyMHQKJVNXLPHAFE-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.00
LogP ≤ 53.93
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

1,1-difluoro-3,3-dimethylpentane
CID 170027103
1,1-dibromo-3,3-diiodobutane
CID 173458704
3,3-dimethylpentane;propane
CID 90942978
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
5-butyl-3,3-dimethylnonane
CID 123518865
3,3,5,7-tetramethylnonane
CID 57490983
trimethyl(2,2,5,5-tetramethylheptan-3-yl)silane
CID 91235940
5,5-dimethyl-3-propan-2-ylheptan-2-ol
CID 156689554
ethane;(5R)-3,3,5-trimethyloctane
CID 143538899
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-3,3-dimethylpentane?
The IUPAC name of 1,1-dibromo-3,3-dimethylpentane (CID 19884394) is 1,1-dibromo-3,3-dimethylpentane.
What is the SMILES notation for 1,1-dibromo-3,3-dimethylpentane?
The canonical SMILES for 1,1-dibromo-3,3-dimethylpentane is CCC(C)(C)CC(Br)Br.
What is the InChIKey of 1,1-dibromo-3,3-dimethylpentane?
The InChIKey is MHQKJVNXLPHAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Br2/c1-4-7(2,3)5-6(8)9/h6H,4-5H2,1-3H3.
What are the key properties of 1,1-dibromo-3,3-dimethylpentane?
1,1-dibromo-3,3-dimethylpentane has a molecular weight of 258.00 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-3,3-dimethylpentane is sourced from PubChem (CID 19884394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).