6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid

C12H23BrO3Si — CID 145483281

IUPAC6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
SMILESCC(C)(C)[Si](C)(C)OC(C=CBr)CCC(=O)O
InChIInChI=1S/C12H23BrO3Si/c1-12(2,3)17(4,5)16-10(8-9-13)6-7-11(14)15/h8-10H,6-7H2,1-5H3,(H,14,15)
InChIKeyZDZICNRQQCNILH-UHFFFAOYSA-N
MW323.30 g/mol
LogP4.15
Rot. Bonds6

About 6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid

6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid (PubChem CID 145483281) has the molecular formula C12H23BrO3Si and a molecular weight of 323.30 g/mol. Its IUPAC name is 6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid.

Molecular Properties

Compound Name6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
PubChem CID145483281
Molecular FormulaC12H23BrO3Si
Molecular Weight323.30 g/mol
Exact Mass322.06
IUPAC Name6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
SMILESCC(C)(C)[Si](C)(C)OC(C=CBr)CCC(=O)O
InChIInChI=1S/C12H23BrO3Si/c1-12(2,3)17(4,5)16-10(8-9-13)6-7-11(14)15/h8-10H,6-7H2,1-5H3,(H,14,15)
InChIKeyZDZICNRQQCNILH-UHFFFAOYSA-N
XLogP4.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid
CID 51003300
(4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 72708009
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
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid
CID 24766118
methyl (E)-6-bromo-4-trimethylsilyloxyhex-5-enoate
CID 25070649
(Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid
CID 177426358
(Z,4R)-6-iodo-4-triethylsilyloxyhex-5-enoic acid
CID 177465782

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid?
The IUPAC name of 6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid (CID 145483281) is 6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid.
What is the SMILES notation for 6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid?
The canonical SMILES for 6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid is CC(C)(C)[Si](C)(C)OC(C=CBr)CCC(=O)O.
What is the InChIKey of 6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid?
The InChIKey is ZDZICNRQQCNILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO3Si/c1-12(2,3)17(4,5)16-10(8-9-13)6-7-11(14)15/h8-10H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid?
6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid has a molecular weight of 323.30 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid is sourced from PubChem (CID 145483281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).