(2R)-2-bromoundecanoic acid

C11H21BrO2 — CID 98062248

IUPAC(2R)-2-bromoundecanoic acid
SMILESCCCCCCCCC[C@@H](Br)C(=O)O
InChIInChI=1S/C11H21BrO2/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10H,2-9H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyNOLJPCPMOUBRJN-SNVBAGLBSA-N
MW265.19 g/mol
LogP3.98
Rot. Bonds9

About (2R)-2-bromoundecanoic acid

(2R)-2-bromoundecanoic acid (PubChem CID 98062248) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is (2R)-2-bromoundecanoic acid.

Molecular Properties

Compound Name(2R)-2-bromoundecanoic acid
PubChem CID98062248
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name(2R)-2-bromoundecanoic acid
SMILESCCCCCCCCC[C@@H](Br)C(=O)O
InChIInChI=1S/C11H21BrO2/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10H,2-9H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyNOLJPCPMOUBRJN-SNVBAGLBSA-N
XLogP3.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.98
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

2-bromopentatriacontanoic acid
CID 141388302
2-bromohexadecanoic acid;silver
CID 87909572
(2R)-2-bromo-9,10-ditritiohexadecanoic acid
CID 165357798
2-bromohexanoic acid;ethane
CID 88646283
6,8-dibromotridecan-7-one
CID 87601388
(2S)-2-bromohexadecanoyl chloride
CID 129383045
2-bromododecanoate
CID 18519641
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
2,3-dibromonon-1-ene-1,1-diol
CID 118275906
methyl (2S)-2-bromotetradecanoate
CID 95858647

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromoundecanoic acid?
The IUPAC name of (2R)-2-bromoundecanoic acid (CID 98062248) is (2R)-2-bromoundecanoic acid.
What is the SMILES notation for (2R)-2-bromoundecanoic acid?
The canonical SMILES for (2R)-2-bromoundecanoic acid is CCCCCCCCC[C@@H](Br)C(=O)O.
What is the InChIKey of (2R)-2-bromoundecanoic acid?
The InChIKey is NOLJPCPMOUBRJN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10H,2-9H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-bromoundecanoic acid?
(2R)-2-bromoundecanoic acid has a molecular weight of 265.19 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromoundecanoic acid is sourced from PubChem (CID 98062248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).