12-bromodotriacontane

C32H65Br — CID 122613066

IUPAC12-bromodotriacontane
SMILESCCCCCCCCCCCCCCCCCCCCC(Br)CCCCCCCCCCC
InChIInChI=1S/C32H65Br/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-32(33)30-28-26-24-22-12-10-8-6-4-2/h32H,3-31H2,1-2H3
InChIKeyOBZQWQCYROLVBC-UHFFFAOYSA-N
MW529.78 g/mol
LogP13.10
Rot. Bonds29

About 12-bromodotriacontane

12-bromodotriacontane (PubChem CID 122613066) has the molecular formula C32H65Br and a molecular weight of 529.78 g/mol. Its IUPAC name is 12-bromodotriacontane.

Molecular Properties

Compound Name12-bromodotriacontane
PubChem CID122613066
Molecular FormulaC32H65Br
Molecular Weight529.78 g/mol
Exact Mass528.43
IUPAC Name12-bromodotriacontane
SMILESCCCCCCCCCCCCCCCCCCCCC(Br)CCCCCCCCCCC
InChIInChI=1S/C32H65Br/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-32(33)30-28-26-24-22-12-10-8-6-4-2/h32H,3-31H2,1-2H3
InChIKeyOBZQWQCYROLVBC-UHFFFAOYSA-N
XLogP13.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.78
LogP ≤ 513.10
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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1,3-dibromododecane
CID 122583611
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CID 162349376
1,4-dibromononane
CID 123668754
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CID 14433707
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Frequently Asked Questions

What is the IUPAC name of 12-bromodotriacontane?
The IUPAC name of 12-bromodotriacontane (CID 122613066) is 12-bromodotriacontane.
What is the SMILES notation for 12-bromodotriacontane?
The canonical SMILES for 12-bromodotriacontane is CCCCCCCCCCCCCCCCCCCCC(Br)CCCCCCCCCCC.
What is the InChIKey of 12-bromodotriacontane?
The InChIKey is OBZQWQCYROLVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H65Br/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-32(33)30-28-26-24-22-12-10-8-6-4-2/h32H,3-31H2,1-2H3.
What are the key properties of 12-bromodotriacontane?
12-bromodotriacontane has a molecular weight of 529.78 g/mol, XLogP of 13.10, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-bromodotriacontane is sourced from PubChem (CID 122613066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).