methyl 11-bromo-10-hydroxyundecanoate

C12H23BrO3 — CID 13032690

IUPACmethyl 11-bromo-10-hydroxyundecanoate
SMILESCOC(=O)CCCCCCCCC(O)CBr
InChIInChI=1S/C12H23BrO3/c1-16-12(15)9-7-5-3-2-4-6-8-11(14)10-13/h11,14H,2-10H2,1H3
InChIKeyRUDQUEIZERNXPM-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.04
Rot. Bonds10

About methyl 11-bromo-10-hydroxyundecanoate

methyl 11-bromo-10-hydroxyundecanoate (PubChem CID 13032690) has the molecular formula C12H23BrO3 and a molecular weight of 295.22 g/mol. Its IUPAC name is methyl 11-bromo-10-hydroxyundecanoate.

Molecular Properties

Compound Namemethyl 11-bromo-10-hydroxyundecanoate
PubChem CID13032690
Molecular FormulaC12H23BrO3
Molecular Weight295.22 g/mol
Exact Mass294.08
IUPAC Namemethyl 11-bromo-10-hydroxyundecanoate
SMILESCOC(=O)CCCCCCCCC(O)CBr
InChIInChI=1S/C12H23BrO3/c1-16-12(15)9-7-5-3-2-4-6-8-11(14)10-13/h11,14H,2-10H2,1H3
InChIKeyRUDQUEIZERNXPM-UHFFFAOYSA-N
XLogP3.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

methyl (9R)-9-hydroxydocosanoate
CID 134814034
methyl 10,18-dihydroxyoctadecanoate
CID 129219404
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl 9-hydroxyoctadecanoate
CID 593159
methyl (9S)-9,16-dihydroxyhexadecanoate
CID 162875043
methyl 13-hydroxy-14-methoxytetradecanoate
CID 154249290
methyl (11S)-11-hydroxyhexadecanoate
CID 10493478
methyl 18,18-dihydroxyoctadecanoate
CID 151355235
methyl (12S,15S)-12,15-dihydroxydocosanoate
CID 10475282
methyl 11-(diethylamino)-10-hydroxyundecanoate
CID 3384962
methyl (6R)-6,8-dihydroxyoctanoate
CID 10442514
methyl 9-hydroxydecanoate
CID 530430

Frequently Asked Questions

What is the IUPAC name of methyl 11-bromo-10-hydroxyundecanoate?
The IUPAC name of methyl 11-bromo-10-hydroxyundecanoate (CID 13032690) is methyl 11-bromo-10-hydroxyundecanoate.
What is the SMILES notation for methyl 11-bromo-10-hydroxyundecanoate?
The canonical SMILES for methyl 11-bromo-10-hydroxyundecanoate is COC(=O)CCCCCCCCC(O)CBr.
What is the InChIKey of methyl 11-bromo-10-hydroxyundecanoate?
The InChIKey is RUDQUEIZERNXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO3/c1-16-12(15)9-7-5-3-2-4-6-8-11(14)10-13/h11,14H,2-10H2,1H3.
What are the key properties of methyl 11-bromo-10-hydroxyundecanoate?
methyl 11-bromo-10-hydroxyundecanoate has a molecular weight of 295.22 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-bromo-10-hydroxyundecanoate is sourced from PubChem (CID 13032690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).