1-bromotridecane

C13H27Br — CID 13000

IUPAC1-bromotridecane
SMILESCCCCCCCCCCCCCBr
InChIInChI=1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3
InChIKeyBFDNZQUBFCYTIC-UHFFFAOYSA-N
MW263.26 g/mol
LogP5.69
Rot. Bonds11

About 1-bromotridecane

1-bromotridecane (PubChem CID 13000) has the molecular formula C13H27Br and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-bromotridecane.

Molecular Properties

Compound Name1-bromotridecane
PubChem CID13000
Molecular FormulaC13H27Br
Molecular Weight263.26 g/mol
Exact Mass262.13
IUPAC Name1-bromotridecane
SMILESCCCCCCCCCCCCCBr
InChIInChI=1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3
InChIKeyBFDNZQUBFCYTIC-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.26
LogP ≤ 55.69
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
1-Bromoheptane
CID 12369
1-Bromooctane
CID 8140
1-Bromohexadecane
CID 8213
1-Bromopentadecane
CID 12394
1-Bromoundecane
CID 12744
Myristyl bromide
CID 8208
1-Bromononane
CID 12742
1,12-Dibromododecane
CID 18766
1-Bromooctadecane
CID 8218
1-Bromoeicosane
CID 20271

Frequently Asked Questions

What is the IUPAC name of 1-bromotridecane?
The IUPAC name of 1-bromotridecane (CID 13000) is 1-bromotridecane.
What is the SMILES notation for 1-bromotridecane?
The canonical SMILES for 1-bromotridecane is CCCCCCCCCCCCCBr.
What is the InChIKey of 1-bromotridecane?
The InChIKey is BFDNZQUBFCYTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3.
What are the key properties of 1-bromotridecane?
1-bromotridecane has a molecular weight of 263.26 g/mol, XLogP of 5.69, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromotridecane is sourced from PubChem (CID 13000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).