1-bromo-7,7-dimethyloctane

C10H21Br — CID 18985391

IUPAC1-bromo-7,7-dimethyloctane
SMILESCC(C)(C)CCCCCCBr
InChIInChI=1S/C10H21Br/c1-10(2,3)8-6-4-5-7-9-11/h4-9H2,1-3H3
InChIKeyOJFOYLXOGRDDJT-UHFFFAOYSA-N
MW221.18 g/mol
LogP4.38
Rot. Bonds5

About 1-bromo-7,7-dimethyloctane

1-bromo-7,7-dimethyloctane (PubChem CID 18985391) has the molecular formula C10H21Br and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-bromo-7,7-dimethyloctane.

Molecular Properties

Compound Name1-bromo-7,7-dimethyloctane
PubChem CID18985391
Molecular FormulaC10H21Br
Molecular Weight221.18 g/mol
Exact Mass220.08
IUPAC Name1-bromo-7,7-dimethyloctane
SMILESCC(C)(C)CCCCCCBr
InChIInChI=1S/C10H21Br/c1-10(2,3)8-6-4-5-7-9-11/h4-9H2,1-3H3
InChIKeyOJFOYLXOGRDDJT-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 54.38
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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Frequently Asked Questions

What is the IUPAC name of 1-bromo-7,7-dimethyloctane?
The IUPAC name of 1-bromo-7,7-dimethyloctane (CID 18985391) is 1-bromo-7,7-dimethyloctane.
What is the SMILES notation for 1-bromo-7,7-dimethyloctane?
The canonical SMILES for 1-bromo-7,7-dimethyloctane is CC(C)(C)CCCCCCBr.
What is the InChIKey of 1-bromo-7,7-dimethyloctane?
The InChIKey is OJFOYLXOGRDDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21Br/c1-10(2,3)8-6-4-5-7-9-11/h4-9H2,1-3H3.
What are the key properties of 1-bromo-7,7-dimethyloctane?
1-bromo-7,7-dimethyloctane has a molecular weight of 221.18 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7,7-dimethyloctane is sourced from PubChem (CID 18985391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).