tert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane

C30H43IO2Si — CID 16756481

IUPACtert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane
SMILESCO[C@@H]([C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)/C=C(\C)C[C@H](C)/C=C/I
InChIInChI=1S/C30H43IO2Si/c1-23(19-20-31)21-24(2)22-25(3)29(32-8)26(4)33-34(30(5,6)7,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-20,22-23,25-26,29H,21H2,1-8H3/b20-19+,24-22+/t23-,25+,26+,29-/m1/s1
InChIKeyYOASJLPHXIPIJL-AZZAGIQPSA-N
MW590.66 g/mol
LogP7.52
Rot. Bonds11

About tert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane

tert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane (PubChem CID 16756481) has the molecular formula C30H43IO2Si and a molecular weight of 590.66 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane
PubChem CID16756481
Molecular FormulaC30H43IO2Si
Molecular Weight590.66 g/mol
Exact Mass590.21
IUPAC Nametert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane
SMILESCO[C@@H]([C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)/C=C(\C)C[C@H](C)/C=C/I
InChIInChI=1S/C30H43IO2Si/c1-23(19-20-31)21-24(2)22-25(3)29(32-8)26(4)33-34(30(5,6)7,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-20,22-23,25-26,29H,21H2,1-8H3/b20-19+,24-22+/t23-,25+,26+,29-/m1/s1
InChIKeyYOASJLPHXIPIJL-AZZAGIQPSA-N
XLogP7.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.66
LogP ≤ 57.52
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,2S,6S,7R,8S)-8-[tert-butyl(diphenyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-7-methoxy-N,2,4,6-tetramethylnon-4-enamide
CID 16756479
methyl 2-[(2R,5S,6S)-6-[(2E,4E,6S,8E,10S,11R,12S)-12-[tert-butyl(diphenyl)silyl]oxy-11-methoxy-6,8,10-trimethyltrideca-2,4,8-trien-2-yl]-5-methyloxan-2-yl]acetate
CID 134940435
(E,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-enoic acid
CID 16726667
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol
CID 134980373
tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane
CID 59466620
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane
CID 134831581
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
CID 10719924
tert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane
CID 11362057
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate
CID 11742789

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane (CID 16756481) is tert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane is CO[C@@H]([C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)/C=C(\C)C[C@H](C)/C=C/I.
What is the InChIKey of tert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane?
The InChIKey is YOASJLPHXIPIJL-AZZAGIQPSA-N. The full InChI is InChI=1S/C30H43IO2Si/c1-23(19-20-31)21-24(2)22-25(3)29(32-8)26(4)33-34(30(5,6)7,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-20,22-23,25-26,29H,21H2,1-8H3/b20-19+,24-22+/t23-,25+,26+,29-/m1/s1.
What are the key properties of tert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane?
tert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane has a molecular weight of 590.66 g/mol, XLogP of 7.52, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R,4S,5E,8S,9E)-10-iodo-3-methoxy-4,6,8-trimethyldeca-5,9-dien-2-yl]oxy-diphenylsilane is sourced from PubChem (CID 16756481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).