tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane

C22H45IO2Si2 — CID 90919260

IUPACtert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane
SMILESCC(C=CI)=C[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H45IO2Si2/c1-18(13-15-23)17-19(2)20(25-27(11,12)22(6,7)8)14-16-24-26(9,10)21(3,4)5/h13,15,17,19-20H,14,16H2,1-12H3/t19-,20-/m0/s1
InChIKeyOMXOQMMIPUEFBI-PMACEKPBSA-N
MW524.68 g/mol
LogP8.32
Rot. Bonds9

About tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane

tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane (PubChem CID 90919260) has the molecular formula C22H45IO2Si2 and a molecular weight of 524.68 g/mol. Its IUPAC name is tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane
PubChem CID90919260
Molecular FormulaC22H45IO2Si2
Molecular Weight524.68 g/mol
Exact Mass524.20
IUPAC Nametert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane
SMILESCC(C=CI)=C[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H45IO2Si2/c1-18(13-15-23)17-19(2)20(25-27(11,12)22(6,7)8)14-16-24-26(9,10)21(3,4)5/h13,15,17,19-20H,14,16H2,1-12H3/t19-,20-/m0/s1
InChIKeyOMXOQMMIPUEFBI-PMACEKPBSA-N
XLogP8.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.68
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid
CID 134887511
methyl (2E,4E,6S,7S,10S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,10,12-tetramethyltrideca-2,4-dienoate
CID 11069627
tert-butyl-[(Z,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enoxy]-dimethylsilane
CID 177383661
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane
CID 11773114
(3S,4S,5E,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienal;methyl (5S,6S,7E,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-2,6,8-trimethyldeca-2,7,9-trienoate;methyl 2-diethoxyphosphorylpropanoate
CID 91107759
tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane
CID 135036510
(3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile
CID 101210753
[(3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-yl] prop-2-enoate
CID 16726241
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhex-5-enoic acid
CID 11188272
tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane
CID 10266482
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane (CID 90919260) is tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane is CC(C=CI)=C[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane?
The InChIKey is OMXOQMMIPUEFBI-PMACEKPBSA-N. The full InChI is InChI=1S/C22H45IO2Si2/c1-18(13-15-23)17-19(2)20(25-27(11,12)22(6,7)8)14-16-24-26(9,10)21(3,4)5/h13,15,17,19-20H,14,16H2,1-12H3/t19-,20-/m0/s1.
What are the key properties of tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane?
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane has a molecular weight of 524.68 g/mol, XLogP of 8.32, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane is sourced from PubChem (CID 90919260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).