1,1,13-tribromotridecane

C13H25Br3 — CID 118276299

IUPAC1,1,13-tribromotridecane
SMILESBrCCCCCCCCCCCCC(Br)Br
InChIInChI=1S/C13H25Br3/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h13H,1-12H2
InChIKeyRWCPOXXWPVYZQD-UHFFFAOYSA-N
MW421.06 g/mol
LogP6.79
Rot. Bonds12

About 1,1,13-tribromotridecane

1,1,13-tribromotridecane (PubChem CID 118276299) has the molecular formula C13H25Br3 and a molecular weight of 421.06 g/mol. Its IUPAC name is 1,1,13-tribromotridecane.

Molecular Properties

Compound Name1,1,13-tribromotridecane
PubChem CID118276299
Molecular FormulaC13H25Br3
Molecular Weight421.06 g/mol
Exact Mass417.95
IUPAC Name1,1,13-tribromotridecane
SMILESBrCCCCCCCCCCCCC(Br)Br
InChIInChI=1S/C13H25Br3/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h13H,1-12H2
InChIKeyRWCPOXXWPVYZQD-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.06
LogP ≤ 56.79
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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1,2,7-tribromoheptane
CID 140914987
1,8-dibromo-1-iodooctane
CID 174451062
1,2,8-tribromooctane
CID 166642867
1,7-dibromooctane
CID 14490019
1,6-dibromo-1-(1,6-dibromohexoxy)hexane
CID 154634435
1,40-dibromotetracontane
CID 11614635
1-bromo-11-methyldodecane
CID 15569727
1-bromo-20-methylhenicosane
CID 10982010
8,8-dibromooctan-1-ol
CID 87333664

Frequently Asked Questions

What is the IUPAC name of 1,1,13-tribromotridecane?
The IUPAC name of 1,1,13-tribromotridecane (CID 118276299) is 1,1,13-tribromotridecane.
What is the SMILES notation for 1,1,13-tribromotridecane?
The canonical SMILES for 1,1,13-tribromotridecane is BrCCCCCCCCCCCCC(Br)Br.
What is the InChIKey of 1,1,13-tribromotridecane?
The InChIKey is RWCPOXXWPVYZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25Br3/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h13H,1-12H2.
What are the key properties of 1,1,13-tribromotridecane?
1,1,13-tribromotridecane has a molecular weight of 421.06 g/mol, XLogP of 6.79, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,13-tribromotridecane is sourced from PubChem (CID 118276299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).