(2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol

C26H36O2Si — CID 25068244

IUPAC(2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
SMILESCC(C)=CCC(O)/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36O2Si/c1-21(2)17-18-25(27)22(3)19-20-28-29(26(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-17,19,25,27H,18,20H2,1-6H3/b22-19+
InChIKeyATDRZOKFIPUWCG-ZBJSNUHESA-N
MW408.66 g/mol
LogP5.23
Rot. Bonds8

About (2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol

(2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol (PubChem CID 25068244) has the molecular formula C26H36O2Si and a molecular weight of 408.66 g/mol. Its IUPAC name is (2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol.

Molecular Properties

Compound Name(2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
PubChem CID25068244
Molecular FormulaC26H36O2Si
Molecular Weight408.66 g/mol
Exact Mass408.25
IUPAC Name(2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
SMILESCC(C)=CCC(O)/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36O2Si/c1-21(2)17-18-25(27)22(3)19-20-28-29(26(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-17,19,25,27H,18,20H2,1-6H3/b22-19+
InChIKeyATDRZOKFIPUWCG-ZBJSNUHESA-N
XLogP5.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,2S)-5-[tert-butyl(diphenyl)silyl]oxy-1-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-en-2-ol
CID 56600016
(E,2S)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-1-(4-methylphenyl)sulfinylpent-3-en-2-ol
CID 101461761
[(2E,4S,6E)-1-[tert-butyl(diphenyl)silyl]oxy-8-hydroxy-3,7-dimethylocta-2,6-dien-4-yl] acetate
CID 56600054
[(2E,4R)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 102576291
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol
CID 102228376
4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
CID 66982894
(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
CID 25223642
(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-[hydroxy(phenyl)methyl]hex-4-en-3-one
CID 15942434
tert-butyl-[(Z)-2-methylhex-2-enoxy]-diphenylsilane
CID 71217058
(E)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-6-methyl-2-methylideneoct-6-enenitrile
CID 10993491
(4S,5E,7S)-9-[tert-butyl(diphenyl)silyl]oxy-5,7-dimethylnona-1,5-dien-4-ol
CID 71551406
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246

Frequently Asked Questions

What is the IUPAC name of (2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol?
The IUPAC name of (2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol (CID 25068244) is (2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol.
What is the SMILES notation for (2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol?
The canonical SMILES for (2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol is CC(C)=CCC(O)/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol?
The InChIKey is ATDRZOKFIPUWCG-ZBJSNUHESA-N. The full InChI is InChI=1S/C26H36O2Si/c1-21(2)17-18-25(27)22(3)19-20-28-29(26(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-17,19,25,27H,18,20H2,1-6H3/b22-19+.
What are the key properties of (2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol?
(2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol has a molecular weight of 408.66 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol is sourced from PubChem (CID 25068244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).