1,8-dibromo-2,7-dimethyloctane

C10H20Br2 — CID 170903621

IUPAC1,8-dibromo-2,7-dimethyloctane
SMILESCC(CBr)CCCCC(C)CBr
InChIInChI=1S/C10H20Br2/c1-9(7-11)5-3-4-6-10(2)8-12/h9-10H,3-8H2,1-2H3
InChIKeyFZLPRAIBQQWIMJ-UHFFFAOYSA-N
MW300.08 g/mol
LogP4.61
Rot. Bonds7

About 1,8-dibromo-2,7-dimethyloctane

1,8-dibromo-2,7-dimethyloctane (PubChem CID 170903621) has the molecular formula C10H20Br2 and a molecular weight of 300.08 g/mol. Its IUPAC name is 1,8-dibromo-2,7-dimethyloctane.

Molecular Properties

Compound Name1,8-dibromo-2,7-dimethyloctane
PubChem CID170903621
Molecular FormulaC10H20Br2
Molecular Weight300.08 g/mol
Exact Mass297.99
IUPAC Name1,8-dibromo-2,7-dimethyloctane
SMILESCC(CBr)CCCCC(C)CBr
InChIInChI=1S/C10H20Br2/c1-9(7-11)5-3-4-6-10(2)8-12/h9-10H,3-8H2,1-2H3
InChIKeyFZLPRAIBQQWIMJ-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.08
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 114477377
6-bromo-2,5-dimethylhexan-1-ol
CID 21319862
N-(5-bromo-4-methylpentyl)methanesulfonamide
CID 106158701
N-(5-bromo-4-methylpentyl)acetamide
CID 106157555
1-bromo-4-butoxy-2-methylbutane
CID 66049175
1-bromo-10-methyldodecane
CID 15569726
(3R)-1-bromo-3,11-dimethyldodecane
CID 118054379
1-bromo-3-fluoro-2-methylpropane
CID 72682751
1-bromo-10-methyltetradecane
CID 170440357
1-bromo-4-methyldecane
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Frequently Asked Questions

What is the IUPAC name of 1,8-dibromo-2,7-dimethyloctane?
The IUPAC name of 1,8-dibromo-2,7-dimethyloctane (CID 170903621) is 1,8-dibromo-2,7-dimethyloctane.
What is the SMILES notation for 1,8-dibromo-2,7-dimethyloctane?
The canonical SMILES for 1,8-dibromo-2,7-dimethyloctane is CC(CBr)CCCCC(C)CBr.
What is the InChIKey of 1,8-dibromo-2,7-dimethyloctane?
The InChIKey is FZLPRAIBQQWIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Br2/c1-9(7-11)5-3-4-6-10(2)8-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,8-dibromo-2,7-dimethyloctane?
1,8-dibromo-2,7-dimethyloctane has a molecular weight of 300.08 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dibromo-2,7-dimethyloctane is sourced from PubChem (CID 170903621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).