1,1,3-tribromooctane

C8H15Br3 — CID 10861079

IUPAC1,1,3-tribromooctane
SMILESCCCCCC(Br)CC(Br)Br
InChIInChI=1S/C8H15Br3/c1-2-3-4-5-7(9)6-8(10)11/h7-8H,2-6H2,1H3
InChIKeyDQPYGZSQXRJINT-UHFFFAOYSA-N
MW350.92 g/mol
LogP4.84
Rot. Bonds6

About 1,1,3-tribromooctane

1,1,3-tribromooctane (PubChem CID 10861079) has the molecular formula C8H15Br3 and a molecular weight of 350.92 g/mol. Its IUPAC name is 1,1,3-tribromooctane.

Molecular Properties

Compound Name1,1,3-tribromooctane
PubChem CID10861079
Molecular FormulaC8H15Br3
Molecular Weight350.92 g/mol
Exact Mass347.87
IUPAC Name1,1,3-tribromooctane
SMILESCCCCCC(Br)CC(Br)Br
InChIInChI=1S/C8H15Br3/c1-2-3-4-5-7(9)6-8(10)11/h7-8H,2-6H2,1H3
InChIKeyDQPYGZSQXRJINT-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 54.84
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 86639780
12-bromodotriacontane
CID 122613066
3-bromo-1,1-difluorononane
CID 24977728
2-bromo-1-fluoroheptane
CID 14433707
1,4-dibromononane
CID 123668754
2,4-dibromooctane
CID 150795215
2-bromo-1-fluorododecane
CID 12938124
1,3-dibromododecane
CID 122583611
1,6-dibromododecane
CID 18940788
4-bromo-2-methyloctane;hydrobromide
CID 175067388
1,3-dibromoundecane
CID 122583600
3-bromooctadecane;methanamine
CID 172853004

Frequently Asked Questions

What is the IUPAC name of 1,1,3-tribromooctane?
The IUPAC name of 1,1,3-tribromooctane (CID 10861079) is 1,1,3-tribromooctane.
What is the SMILES notation for 1,1,3-tribromooctane?
The canonical SMILES for 1,1,3-tribromooctane is CCCCCC(Br)CC(Br)Br.
What is the InChIKey of 1,1,3-tribromooctane?
The InChIKey is DQPYGZSQXRJINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br3/c1-2-3-4-5-7(9)6-8(10)11/h7-8H,2-6H2,1H3.
What are the key properties of 1,1,3-tribromooctane?
1,1,3-tribromooctane has a molecular weight of 350.92 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-tribromooctane is sourced from PubChem (CID 10861079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).