(Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid

C12H23IO3Si — CID 177426358

IUPAC(Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid
SMILESCC[Si](CC)(CC)O[C@H](/C=C\I)CCC(=O)O
InChIInChI=1S/C12H23IO3Si/c1-4-17(5-2,6-3)16-11(9-10-13)7-8-12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)/b10-9-/t11-/m0/s1
InChIKeyFWPCAFHRGKSSMN-JUDLJHIGSA-N
MW370.30 g/mol
LogP4.19
Rot. Bonds9

About (Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid

(Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid (PubChem CID 177426358) has the molecular formula C12H23IO3Si and a molecular weight of 370.30 g/mol. Its IUPAC name is (Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid.

Molecular Properties

Compound Name(Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid
PubChem CID177426358
Molecular FormulaC12H23IO3Si
Molecular Weight370.30 g/mol
Exact Mass370.05
IUPAC Name(Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid
SMILESCC[Si](CC)(CC)O[C@H](/C=C\I)CCC(=O)O
InChIInChI=1S/C12H23IO3Si/c1-4-17(5-2,6-3)16-11(9-10-13)7-8-12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)/b10-9-/t11-/m0/s1
InChIKeyFWPCAFHRGKSSMN-JUDLJHIGSA-N
XLogP4.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid?
The IUPAC name of (Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid (CID 177426358) is (Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid.
What is the SMILES notation for (Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid?
The canonical SMILES for (Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid is CC[Si](CC)(CC)O[C@H](/C=C\I)CCC(=O)O.
What is the InChIKey of (Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid?
The InChIKey is FWPCAFHRGKSSMN-JUDLJHIGSA-N. The full InChI is InChI=1S/C12H23IO3Si/c1-4-17(5-2,6-3)16-11(9-10-13)7-8-12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)/b10-9-/t11-/m0/s1.
What are the key properties of (Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid?
(Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid has a molecular weight of 370.30 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-6-iodo-4-triethylsilyloxyhex-5-enoic acid is sourced from PubChem (CID 177426358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).