1-bromododecane

C12H25Br — CID 8919

IUPAC1-bromododecane
SMILESCCCCCCCCCCCCBr
InChIInChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKeyPBLNBZIONSLZBU-UHFFFAOYSA-N
MW249.24 g/mol
LogP5.30
Rot. Bonds10

About 1-bromododecane

1-bromododecane (PubChem CID 8919) has the molecular formula C12H25Br and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-bromododecane.

Molecular Properties

Compound Name1-bromododecane
PubChem CID8919
Molecular FormulaC12H25Br
Molecular Weight249.24 g/mol
Exact Mass248.11
IUPAC Name1-bromododecane
SMILESCCCCCCCCCCCCBr
InChIInChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKeyPBLNBZIONSLZBU-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.24
LogP ≤ 55.30
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-Bromoheptane
CID 12369
1-Bromooctane
CID 8140
1-Bromotridecane
CID 13000
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-bromododecane?
The IUPAC name of 1-bromododecane (CID 8919) is 1-bromododecane.
What is the SMILES notation for 1-bromododecane?
The canonical SMILES for 1-bromododecane is CCCCCCCCCCCCBr.
What is the InChIKey of 1-bromododecane?
The InChIKey is PBLNBZIONSLZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3.
What are the key properties of 1-bromododecane?
1-bromododecane has a molecular weight of 249.24 g/mol, XLogP of 5.30, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromododecane is sourced from PubChem (CID 8919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).