(2S)-2-bromohexadecanoyl chloride

C16H30BrClO — CID 129383045

IUPAC(2S)-2-bromohexadecanoyl chloride
SMILESCCCCCCCCCCCCCC[C@H](Br)C(=O)Cl
InChIInChI=1S/C16H30BrClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3/t15-/m0/s1
InChIKeyUEILPVLZADSHBO-HNNXBMFYSA-N
MW353.77 g/mol
LogP6.61
Rot. Bonds14

About (2S)-2-bromohexadecanoyl chloride

(2S)-2-bromohexadecanoyl chloride (PubChem CID 129383045) has the molecular formula C16H30BrClO and a molecular weight of 353.77 g/mol. Its IUPAC name is (2S)-2-bromohexadecanoyl chloride.

Molecular Properties

Compound Name(2S)-2-bromohexadecanoyl chloride
PubChem CID129383045
Molecular FormulaC16H30BrClO
Molecular Weight353.77 g/mol
Exact Mass352.12
IUPAC Name(2S)-2-bromohexadecanoyl chloride
SMILESCCCCCCCCCCCCCC[C@H](Br)C(=O)Cl
InChIInChI=1S/C16H30BrClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3/t15-/m0/s1
InChIKeyUEILPVLZADSHBO-HNNXBMFYSA-N
XLogP6.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.77
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromopentatriacontanoic acid
CID 141388302
(2R)-2-bromoundecanoic acid
CID 98062248
6,8-dibromotridecan-7-one
CID 87601388
2-bromohexadecanoic acid;silver
CID 87909572
2-bromododecanoate
CID 18519641
2-hexylundecanoyl chloride
CID 143261788
2-methyldecanoyl chloride
CID 19022279
2-chlorooctadecanoyl chloride
CID 20512617
(2S)-2-methyloctadecanoyl chloride
CID 88703138
2-butyloctanoyl chloride
CID 22341435
methyl (2S)-2-bromotetradecanoate
CID 95858647
2,5-dibromopentanoyl chloride
CID 11185032

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromohexadecanoyl chloride?
The IUPAC name of (2S)-2-bromohexadecanoyl chloride (CID 129383045) is (2S)-2-bromohexadecanoyl chloride.
What is the SMILES notation for (2S)-2-bromohexadecanoyl chloride?
The canonical SMILES for (2S)-2-bromohexadecanoyl chloride is CCCCCCCCCCCCCC[C@H](Br)C(=O)Cl.
What is the InChIKey of (2S)-2-bromohexadecanoyl chloride?
The InChIKey is UEILPVLZADSHBO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H30BrClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-bromohexadecanoyl chloride?
(2S)-2-bromohexadecanoyl chloride has a molecular weight of 353.77 g/mol, XLogP of 6.61, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromohexadecanoyl chloride is sourced from PubChem (CID 129383045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).