methyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate

C15H24Br2O4 — CID 51002802

IUPACmethyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate
SMILESCOC(=O)CC/C=C\[C@@H](O)[C@@H](O)CCCCCC=C(Br)Br
InChIInChI=1S/C15H24Br2O4/c1-21-15(20)11-7-6-9-13(19)12(18)8-4-2-3-5-10-14(16)17/h6,9-10,12-13,18-19H,2-5,7-8,11H2,1H3/b9-6-/t12-,13+/m0/s1
InChIKeyFFPKKWNJQCYPHB-QDIXBRCLSA-N
MW428.16 g/mol
LogP3.80
Rot. Bonds11

About methyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate

methyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate (PubChem CID 51002802) has the molecular formula C15H24Br2O4 and a molecular weight of 428.16 g/mol. Its IUPAC name is methyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate.

Molecular Properties

Compound Namemethyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate
PubChem CID51002802
Molecular FormulaC15H24Br2O4
Molecular Weight428.16 g/mol
Exact Mass426.00
IUPAC Namemethyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate
SMILESCOC(=O)CC/C=C\[C@@H](O)[C@@H](O)CCCCCC=C(Br)Br
InChIInChI=1S/C15H24Br2O4/c1-21-15(20)11-7-6-9-13(19)12(18)8-4-2-3-5-10-14(16)17/h6,9-10,12-13,18-19H,2-5,7-8,11H2,1H3/b9-6-/t12-,13+/m0/s1
InChIKeyFFPKKWNJQCYPHB-QDIXBRCLSA-N
XLogP3.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.16
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (5S,6R,7E,9Z,11E,13E)-5,6-dihydroxyicosa-7,9,11,13-tetraenoate
CID 88553719
methyl (E,9R,12R,13R)-9,12,13-trihydroxyoctadec-10-enoate
CID 14191893
methyl (E)-9,10,13-trihydroxyoctadec-11-enoate
CID 10315496
methyl (Z)-17-methyloctadec-4-enoate
CID 10686436
methyl 9,10,13-trihydroxyoctadeca-11,15-dienoate
CID 163048418
methyl 9-hydroxyhexadec-7-enoate
CID 73069311
(E)-10,11-dihydroxyoctadec-12-enoic acid
CID 44633868
methyl (5S,6Z,8Z,10E,12E,14R,15S)-5,14,15-trihydroxyicosa-6,8,10,12-tetraenoate
CID 14394172
methyl (5R,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoate
CID 95065529
methyl (5Z,8Z,11R,12E,14R,15S)-11,14,15-trihydroxyicosa-5,8,12-trienoate
CID 11610350
dimethyl (E)-oct-4-enedioate
CID 15585051
methyl 13-methyltetradec-12-enoate
CID 24973726

Frequently Asked Questions

What is the IUPAC name of methyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate?
The IUPAC name of methyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate (CID 51002802) is methyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate.
What is the SMILES notation for methyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate?
The canonical SMILES for methyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate is COC(=O)CC/C=C\[C@@H](O)[C@@H](O)CCCCCC=C(Br)Br.
What is the InChIKey of methyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate?
The InChIKey is FFPKKWNJQCYPHB-QDIXBRCLSA-N. The full InChI is InChI=1S/C15H24Br2O4/c1-21-15(20)11-7-6-9-13(19)12(18)8-4-2-3-5-10-14(16)17/h6,9-10,12-13,18-19H,2-5,7-8,11H2,1H3/b9-6-/t12-,13+/m0/s1.
What are the key properties of methyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate?
methyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate has a molecular weight of 428.16 g/mol, XLogP of 3.80, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z,6R,7S)-14,14-dibromo-6,7-dihydroxytetradeca-4,13-dienoate is sourced from PubChem (CID 51002802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).