1,1,15-tribromopentadecane

C15H29Br3 — CID 118275782

IUPAC1,1,15-tribromopentadecane
SMILESBrCCCCCCCCCCCCCCC(Br)Br
InChIInChI=1S/C15H29Br3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h15H,1-14H2
InChIKeyQRJHOBLVGXXNJR-UHFFFAOYSA-N
MW449.11 g/mol
LogP7.57
Rot. Bonds14

About 1,1,15-tribromopentadecane

1,1,15-tribromopentadecane (PubChem CID 118275782) has the molecular formula C15H29Br3 and a molecular weight of 449.11 g/mol. Its IUPAC name is 1,1,15-tribromopentadecane.

Molecular Properties

Compound Name1,1,15-tribromopentadecane
PubChem CID118275782
Molecular FormulaC15H29Br3
Molecular Weight449.11 g/mol
Exact Mass445.98
IUPAC Name1,1,15-tribromopentadecane
SMILESBrCCCCCCCCCCCCCCC(Br)Br
InChIInChI=1S/C15H29Br3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h15H,1-14H2
InChIKeyQRJHOBLVGXXNJR-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.11
LogP ≤ 57.57
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-Bromodecane
CID 8173
1-Bromododecane
CID 8919
Hexabromocyclododecane
CID 33121
1,2,5,6,9,10-Hexabromocyclododecane
CID 18529
1-Bromooctane
CID 8140
1-Bromotridecane
CID 13000
1-Bromopentadecane
CID 12394
1-Bromoundecane
CID 12744
Myristyl bromide
CID 8208
1-Bromononane
CID 12742
1,12-Dibromododecane
CID 18766
1,10-Dibromodecane
CID 221483

Frequently Asked Questions

What is the IUPAC name of 1,1,15-tribromopentadecane?
The IUPAC name of 1,1,15-tribromopentadecane (CID 118275782) is 1,1,15-tribromopentadecane.
What is the SMILES notation for 1,1,15-tribromopentadecane?
The canonical SMILES for 1,1,15-tribromopentadecane is BrCCCCCCCCCCCCCCC(Br)Br.
What is the InChIKey of 1,1,15-tribromopentadecane?
The InChIKey is QRJHOBLVGXXNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29Br3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h15H,1-14H2.
What are the key properties of 1,1,15-tribromopentadecane?
1,1,15-tribromopentadecane has a molecular weight of 449.11 g/mol, XLogP of 7.57, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,15-tribromopentadecane is sourced from PubChem (CID 118275782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).