1,1,1-tribromopentadecane

C15H29Br3 — CID 118275781

IUPAC1,1,1-tribromopentadecane
SMILESCCCCCCCCCCCCCCC(Br)(Br)Br
InChIInChI=1S/C15H29Br3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16,17)18/h2-14H2,1H3
InChIKeyXTUXPEFVSBMTQK-UHFFFAOYSA-N
MW449.11 g/mol
LogP7.92
Rot. Bonds12

About 1,1,1-tribromopentadecane

1,1,1-tribromopentadecane (PubChem CID 118275781) has the molecular formula C15H29Br3 and a molecular weight of 449.11 g/mol. Its IUPAC name is 1,1,1-tribromopentadecane.

Molecular Properties

Compound Name1,1,1-tribromopentadecane
PubChem CID118275781
Molecular FormulaC15H29Br3
Molecular Weight449.11 g/mol
Exact Mass445.98
IUPAC Name1,1,1-tribromopentadecane
SMILESCCCCCCCCCCCCCCC(Br)(Br)Br
InChIInChI=1S/C15H29Br3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16,17)18/h2-14H2,1H3
InChIKeyXTUXPEFVSBMTQK-UHFFFAOYSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.11
LogP ≤ 57.92
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

1,1,1-tribromononadecane
CID 118275809
silane;1,1,1-tribromopentane
CID 158012938
12-bromo-12-undecyltricosane
CID 88743185
1,1,1,6,6,6-hexabromohexane
CID 154416999
9-bromo-9-methylhenicosane
CID 155906452
9,9-dioctyloctadecane
CID 19690418
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
8-hexyl-8-pentylhexadecane
CID 521602
7-methylhexadecan-7-ylsilane
CID 173411878
1,1-dibromo-1-fluorohexane
CID 139643028
calcium;hydride;octane
CID 173403164

Frequently Asked Questions

What is the IUPAC name of 1,1,1-tribromopentadecane?
The IUPAC name of 1,1,1-tribromopentadecane (CID 118275781) is 1,1,1-tribromopentadecane.
What is the SMILES notation for 1,1,1-tribromopentadecane?
The canonical SMILES for 1,1,1-tribromopentadecane is CCCCCCCCCCCCCCC(Br)(Br)Br.
What is the InChIKey of 1,1,1-tribromopentadecane?
The InChIKey is XTUXPEFVSBMTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29Br3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16,17)18/h2-14H2,1H3.
What are the key properties of 1,1,1-tribromopentadecane?
1,1,1-tribromopentadecane has a molecular weight of 449.11 g/mol, XLogP of 7.92, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-tribromopentadecane is sourced from PubChem (CID 118275781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).