(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid

C12H23IO3Si — CID 24766118

IUPAC(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H](/C=C/I)CCC(=O)O
InChIInChI=1S/C12H23IO3Si/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)/b9-8+/t10-/m0/s1
InChIKeyGWUSCHVBBLWGKQ-DDXVTDLHSA-N
MW370.30 g/mol
LogP4.19
Rot. Bonds6

About (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid

(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid (PubChem CID 24766118) has the molecular formula C12H23IO3Si and a molecular weight of 370.30 g/mol. Its IUPAC name is (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid.

Molecular Properties

Compound Name(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid
PubChem CID24766118
Molecular FormulaC12H23IO3Si
Molecular Weight370.30 g/mol
Exact Mass370.05
IUPAC Name(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H](/C=C/I)CCC(=O)O
InChIInChI=1S/C12H23IO3Si/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)/b9-8+/t10-/m0/s1
InChIKeyGWUSCHVBBLWGKQ-DDXVTDLHSA-N
XLogP4.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

(E,3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohex-5-enoic acid
CID 10864017
(4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid
CID 51003300
(4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 72708009
6-Bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 145483281
(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid
CID 10689605
(Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enoic acid
CID 11100362
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoate
CID 56964718
(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 (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid?
The IUPAC name of (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid (CID 24766118) is (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid.
What is the SMILES notation for (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid?
The canonical SMILES for (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid is CC(C)(C)[Si](C)(C)O[C@H](/C=C/I)CCC(=O)O.
What is the InChIKey of (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid?
The InChIKey is GWUSCHVBBLWGKQ-DDXVTDLHSA-N. The full InChI is InChI=1S/C12H23IO3Si/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)/b9-8+/t10-/m0/s1.
What are the key properties of (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid?
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid has a molecular weight of 370.30 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid is sourced from PubChem (CID 24766118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).