1,7-dibromo-3,5-dimethylheptane

C9H18Br2 — CID 155037332

IUPAC1,7-dibromo-3,5-dimethylheptane
SMILESCC(CCBr)CC(C)CCBr
InChIInChI=1S/C9H18Br2/c1-8(3-5-10)7-9(2)4-6-11/h8-9H,3-7H2,1-2H3
InChIKeyRBIXRQPDMYLXQM-UHFFFAOYSA-N
MW286.05 g/mol
LogP4.22
Rot. Bonds6

About 1,7-dibromo-3,5-dimethylheptane

1,7-dibromo-3,5-dimethylheptane (PubChem CID 155037332) has the molecular formula C9H18Br2 and a molecular weight of 286.05 g/mol. Its IUPAC name is 1,7-dibromo-3,5-dimethylheptane.

Molecular Properties

Compound Name1,7-dibromo-3,5-dimethylheptane
PubChem CID155037332
Molecular FormulaC9H18Br2
Molecular Weight286.05 g/mol
Exact Mass283.98
IUPAC Name1,7-dibromo-3,5-dimethylheptane
SMILESCC(CCBr)CC(C)CCBr
InChIInChI=1S/C9H18Br2/c1-8(3-5-10)7-9(2)4-6-11/h8-9H,3-7H2,1-2H3
InChIKeyRBIXRQPDMYLXQM-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 54.22
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 1,7-dibromo-3,5-dimethylheptane?
The IUPAC name of 1,7-dibromo-3,5-dimethylheptane (CID 155037332) is 1,7-dibromo-3,5-dimethylheptane.
What is the SMILES notation for 1,7-dibromo-3,5-dimethylheptane?
The canonical SMILES for 1,7-dibromo-3,5-dimethylheptane is CC(CCBr)CC(C)CCBr.
What is the InChIKey of 1,7-dibromo-3,5-dimethylheptane?
The InChIKey is RBIXRQPDMYLXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Br2/c1-8(3-5-10)7-9(2)4-6-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 1,7-dibromo-3,5-dimethylheptane?
1,7-dibromo-3,5-dimethylheptane has a molecular weight of 286.05 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dibromo-3,5-dimethylheptane is sourced from PubChem (CID 155037332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).