1-bromodecane

C10H21Br — CID 8173

IUPAC1-bromodecane
SMILESCCCCCCCCCCBr
InChIInChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
InChIKeyMYMSJFSOOQERIO-UHFFFAOYSA-N
MW221.18 g/mol
LogP4.52
Rot. Bonds8

About 1-bromodecane

1-bromodecane (PubChem CID 8173) has the molecular formula C10H21Br and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-bromodecane.

Molecular Properties

Compound Name1-bromodecane
PubChem CID8173
Molecular FormulaC10H21Br
Molecular Weight221.18 g/mol
Exact Mass220.08
IUPAC Name1-bromodecane
SMILESCCCCCCCCCCBr
InChIInChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
InChIKeyMYMSJFSOOQERIO-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 54.52
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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Frequently Asked Questions

What is the IUPAC name of 1-bromodecane?
The IUPAC name of 1-bromodecane (CID 8173) is 1-bromodecane.
What is the SMILES notation for 1-bromodecane?
The canonical SMILES for 1-bromodecane is CCCCCCCCCCBr.
What is the InChIKey of 1-bromodecane?
The InChIKey is MYMSJFSOOQERIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3.
What are the key properties of 1-bromodecane?
1-bromodecane has a molecular weight of 221.18 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromodecane is sourced from PubChem (CID 8173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).