tert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane

C23H47IO2Si2 — CID 102077004

IUPACtert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane
SMILESC[C@H](/C=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C\CO[Si](C)(C)C(C)(C)C)CI
InChIInChI=1S/C23H47IO2Si2/c1-19(18-24)15-16-21(26-28(11,12)23(6,7)8)20(2)14-13-17-25-27(9,10)22(3,4)5/h13-16,19-21H,17-18H2,1-12H3/b14-13-,16-15-/t19-,20+,21+/m1/s1
InChIKeyKWELAPDYJYRTSH-ATYAFAICSA-N
MW538.70 g/mol
LogP8.22
Rot. Bonds10

About tert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane

tert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane (PubChem CID 102077004) has the molecular formula C23H47IO2Si2 and a molecular weight of 538.70 g/mol. Its IUPAC name is tert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane
PubChem CID102077004
Molecular FormulaC23H47IO2Si2
Molecular Weight538.70 g/mol
Exact Mass538.22
IUPAC Nametert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane
SMILESC[C@H](/C=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C\CO[Si](C)(C)C(C)(C)C)CI
InChIInChI=1S/C23H47IO2Si2/c1-19(18-24)15-16-21(26-28(11,12)23(6,7)8)20(2)14-13-17-25-27(9,10)22(3,4)5/h13-16,19-21H,17-18H2,1-12H3/b14-13-,16-15-/t19-,20+,21+/m1/s1
InChIKeyKWELAPDYJYRTSH-ATYAFAICSA-N
XLogP8.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.70
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane with MolForge

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Related Compounds

methyl (2E,4S,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate
CID 102043881
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
(E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol
CID 102461539
(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol
CID 25137337
tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane
CID 54066938
(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enal
CID 10955754
(2E,5S,6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-5-methylocta-2,7-dien-1-ol
CID 159080452
(E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylmethoxyhex-4-enal
CID 11727786
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 19914775
tert-butyl-[(E)-4-iodo-2-methylbut-3-enoxy]-dimethylsilane
CID 101405389

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane (CID 102077004) is tert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane is C[C@H](/C=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C\CO[Si](C)(C)C(C)(C)C)CI.
What is the InChIKey of tert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane?
The InChIKey is KWELAPDYJYRTSH-ATYAFAICSA-N. The full InChI is InChI=1S/C23H47IO2Si2/c1-19(18-24)15-16-21(26-28(11,12)23(6,7)8)20(2)14-13-17-25-27(9,10)22(3,4)5/h13-16,19-21H,17-18H2,1-12H3/b14-13-,16-15-/t19-,20+,21+/m1/s1.
What are the key properties of tert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane?
tert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane has a molecular weight of 538.70 g/mol, XLogP of 8.22, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 102077004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).