methyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate

C13H24Br2O3Si — CID 144689661

IUPACmethyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate
SMILESCOC(=O)CC[C@@H](C=C(Br)Br)O[Si](C)(C)CC(C)C
InChIInChI=1S/C13H24Br2O3Si/c1-10(2)9-19(4,5)18-11(8-12(14)15)6-7-13(16)17-3/h8,10-11H,6-7,9H2,1-5H3/t11-/m0/s1
InChIKeyGSFORQSPSNBEDR-NSHDSACASA-N
MW416.23 g/mol
LogP4.82
Rot. Bonds8

About methyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate

methyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate (PubChem CID 144689661) has the molecular formula C13H24Br2O3Si and a molecular weight of 416.23 g/mol. Its IUPAC name is methyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate.

Molecular Properties

Compound Namemethyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate
PubChem CID144689661
Molecular FormulaC13H24Br2O3Si
Molecular Weight416.23 g/mol
Exact Mass413.99
IUPAC Namemethyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate
SMILESCOC(=O)CC[C@@H](C=C(Br)Br)O[Si](C)(C)CC(C)C
InChIInChI=1S/C13H24Br2O3Si/c1-10(2)9-19(4,5)18-11(8-12(14)15)6-7-13(16)17-3/h8,10-11H,6-7,9H2,1-5H3/t11-/m0/s1
InChIKeyGSFORQSPSNBEDR-NSHDSACASA-N
XLogP4.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.23
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate 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 (E,4S)-6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 59372907
Methyl 6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 72273544
methyl (E)-6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 87513962
methyl (E,4R)-6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 89058032
(4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoic acid
CID 90358327
methyl (4S)-6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 90776555
methyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate
CID 25070649

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate?
The IUPAC name of methyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate (CID 144689661) is methyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate.
What is the SMILES notation for methyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate?
The canonical SMILES for methyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate is COC(=O)CC[C@@H](C=C(Br)Br)O[Si](C)(C)CC(C)C.
What is the InChIKey of methyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate?
The InChIKey is GSFORQSPSNBEDR-NSHDSACASA-N. The full InChI is InChI=1S/C13H24Br2O3Si/c1-10(2)9-19(4,5)18-11(8-12(14)15)6-7-13(16)17-3/h8,10-11H,6-7,9H2,1-5H3/t11-/m0/s1.
What are the key properties of methyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate?
methyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate has a molecular weight of 416.23 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-6,6-dibromo-4-[dimethyl(2-methylpropyl)silyl]oxyhex-5-enoate is sourced from PubChem (CID 144689661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).