1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane

C5H10Br2 — CID 131869331

IUPAC1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane
SMILES[2H]C([2H])(Br)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br
InChIInChI=1S/C5H10Br2/c6-4-2-1-3-5-7/h1-5H2/i1D2,2D2,3D2,4D2,5D2
InChIKeyIBODDUNKEPPBKW-YXALHFAPSA-N
MW240.00 g/mol
LogP2.95
Rot. Bonds4

About 1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane

1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane (PubChem CID 131869331) has the molecular formula C5H10Br2 and a molecular weight of 240.00 g/mol. Its IUPAC name is 1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane.

Molecular Properties

Compound Name1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane
PubChem CID131869331
Molecular FormulaC5H10Br2
Molecular Weight240.00 g/mol
Exact Mass237.98
IUPAC Name1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane
SMILES[2H]C([2H])(Br)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br
InChIInChI=1S/C5H10Br2/c6-4-2-1-3-5-7/h1-5H2/i1D2,2D2,3D2,4D2,5D2
InChIKeyIBODDUNKEPPBKW-YXALHFAPSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.00
LogP ≤ 52.95
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-1,1,2,2,3,3,4-heptadeuterioheptane
CID 131701124
1,3-dibromo-1,1,3,3-tetradeuteriopropane
CID 54387418
1-bromo-1,1,2,2-tetradeuteriopropane
CID 71309549
2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide
CID 76974623
1,2-dibromo-1-deuterioethane
CID 54482118
1-bromo-1,1,2,3,3,3-hexadeuteriopropane
CID 23264209
tert-butyl 4-bromo-3,3,4,4-tetradeuteriobutanoate
CID 160882921
1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene
CID 59070810
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,26-tetrapentacontadeuteriohexacosane
CID 101036681
1-bromo-7,7-dideuterioundecane
CID 11075452
10-bromo-10,10-dideuteriodec-1-ene
CID 10846609
3-bromo-1,1,1,2,2-pentadeuteriopropane
CID 87158704

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane?
The IUPAC name of 1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane (CID 131869331) is 1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane.
What is the SMILES notation for 1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane?
The canonical SMILES for 1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane is [2H]C([2H])(Br)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br.
What is the InChIKey of 1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane?
The InChIKey is IBODDUNKEPPBKW-YXALHFAPSA-N. The full InChI is InChI=1S/C5H10Br2/c6-4-2-1-3-5-7/h1-5H2/i1D2,2D2,3D2,4D2,5D2.
What are the key properties of 1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane?
1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane has a molecular weight of 240.00 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane is sourced from PubChem (CID 131869331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).