(E,6R,8R)-9-[tert-butyl(diphenyl)silyl]oxy-6,8-dimethylnon-3-en-2-one

C27H38O2Si — CID 71608924

IUPAC(E,6R,8R)-9-[tert-butyl(diphenyl)silyl]oxy-6,8-dimethylnon-3-en-2-one
SMILESCC(=O)/C=C/C[C@@H](C)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H38O2Si/c1-22(14-13-15-24(3)28)20-23(2)21-29-30(27(4,5)6,25-16-9-7-10-17-25)26-18-11-8-12-19-26/h7-13,15-19,22-23H,14,20-21H2,1-6H3/b15-13+/t22-,23-/m1/s1
InChIKeyIZWFEWVEKMCKBQ-HOEBRKOCSA-N
MW422.69 g/mol
LogP5.76
Rot. Bonds10

About (E,6R,8R)-9-[tert-butyl(diphenyl)silyl]oxy-6,8-dimethylnon-3-en-2-one

(E,6R,8R)-9-[tert-butyl(diphenyl)silyl]oxy-6,8-dimethylnon-3-en-2-one (PubChem CID 71608924) has the molecular formula C27H38O2Si and a molecular weight of 422.69 g/mol. Its IUPAC name is (E,6R,8R)-9-[tert-butyl(diphenyl)silyl]oxy-6,8-dimethylnon-3-en-2-one.

Molecular Properties

Compound Name(E,6R,8R)-9-[tert-butyl(diphenyl)silyl]oxy-6,8-dimethylnon-3-en-2-one
PubChem CID71608924
Molecular FormulaC27H38O2Si
Molecular Weight422.69 g/mol
Exact Mass422.26
IUPAC Name(E,6R,8R)-9-[tert-butyl(diphenyl)silyl]oxy-6,8-dimethylnon-3-en-2-one
SMILESCC(=O)/C=C/C[C@@H](C)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H38O2Si/c1-22(14-13-15-24(3)28)20-23(2)21-29-30(27(4,5)6,25-16-9-7-10-17-25)26-18-11-8-12-19-26/h7-13,15-19,22-23H,14,20-21H2,1-6H3/b15-13+/t22-,23-/m1/s1
InChIKeyIZWFEWVEKMCKBQ-HOEBRKOCSA-N
XLogP5.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.69
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
methyl (2S,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptanoate
CID 102512037
(4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-6-methylhept-1-en-4-ol
CID 132510490
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal
CID 11574459
(E,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,6-dimethylhept-2-enoic acid
CID 69284121
(E,6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydec-3-ene-2,8-dione
CID 71480533
tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane
CID 134846014
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200

Frequently Asked Questions

What is the IUPAC name of (E,6R,8R)-9-[tert-butyl(diphenyl)silyl]oxy-6,8-dimethylnon-3-en-2-one?
The IUPAC name of (E,6R,8R)-9-[tert-butyl(diphenyl)silyl]oxy-6,8-dimethylnon-3-en-2-one (CID 71608924) is (E,6R,8R)-9-[tert-butyl(diphenyl)silyl]oxy-6,8-dimethylnon-3-en-2-one.
What is the SMILES notation for (E,6R,8R)-9-[tert-butyl(diphenyl)silyl]oxy-6,8-dimethylnon-3-en-2-one?
The canonical SMILES for (E,6R,8R)-9-[tert-butyl(diphenyl)silyl]oxy-6,8-dimethylnon-3-en-2-one is CC(=O)/C=C/C[C@@H](C)C[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E,6R,8R)-9-[tert-butyl(diphenyl)silyl]oxy-6,8-dimethylnon-3-en-2-one?
The InChIKey is IZWFEWVEKMCKBQ-HOEBRKOCSA-N. The full InChI is InChI=1S/C27H38O2Si/c1-22(14-13-15-24(3)28)20-23(2)21-29-30(27(4,5)6,25-16-9-7-10-17-25)26-18-11-8-12-19-26/h7-13,15-19,22-23H,14,20-21H2,1-6H3/b15-13+/t22-,23-/m1/s1.
What are the key properties of (E,6R,8R)-9-[tert-butyl(diphenyl)silyl]oxy-6,8-dimethylnon-3-en-2-one?
(E,6R,8R)-9-[tert-butyl(diphenyl)silyl]oxy-6,8-dimethylnon-3-en-2-one has a molecular weight of 422.69 g/mol, XLogP of 5.76, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R,8R)-9-[tert-butyl(diphenyl)silyl]oxy-6,8-dimethylnon-3-en-2-one is sourced from PubChem (CID 71608924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).