2-bromohexadecanoic acid;silver

C16H31AgBrO2 — CID 87909572

IUPAC2-bromohexadecanoic acid;silver
SMILESCCCCCCCCCCCCCCC(Br)C(=O)O.[Ag]
InChIInChI=1S/C16H31BrO2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19;/h15H,2-14H2,1H3,(H,18,19);
InChIKeyFMLGVFDUXYDLNK-UHFFFAOYSA-N
MW443.19 g/mol
LogP5.92
Rot. Bonds14

About 2-bromohexadecanoic acid;silver

2-bromohexadecanoic acid;silver (PubChem CID 87909572) has the molecular formula C16H31AgBrO2 and a molecular weight of 443.19 g/mol. Its IUPAC name is 2-bromohexadecanoic acid;silver.

Molecular Properties

Compound Name2-bromohexadecanoic acid;silver
PubChem CID87909572
Molecular FormulaC16H31AgBrO2
Molecular Weight443.19 g/mol
Exact Mass441.06
IUPAC Name2-bromohexadecanoic acid;silver
SMILESCCCCCCCCCCCCCCC(Br)C(=O)O.[Ag]
InChIInChI=1S/C16H31BrO2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19;/h15H,2-14H2,1H3,(H,18,19);
InChIKeyFMLGVFDUXYDLNK-UHFFFAOYSA-N
XLogP5.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.19
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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2-icosylpropanedioic acid
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Frequently Asked Questions

What is the IUPAC name of 2-bromohexadecanoic acid;silver?
The IUPAC name of 2-bromohexadecanoic acid;silver (CID 87909572) is 2-bromohexadecanoic acid;silver.
What is the SMILES notation for 2-bromohexadecanoic acid;silver?
The canonical SMILES for 2-bromohexadecanoic acid;silver is CCCCCCCCCCCCCCC(Br)C(=O)O.[Ag].
What is the InChIKey of 2-bromohexadecanoic acid;silver?
The InChIKey is FMLGVFDUXYDLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31BrO2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19;/h15H,2-14H2,1H3,(H,18,19);.
What are the key properties of 2-bromohexadecanoic acid;silver?
2-bromohexadecanoic acid;silver has a molecular weight of 443.19 g/mol, XLogP of 5.92, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromohexadecanoic acid;silver is sourced from PubChem (CID 87909572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).