(3S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-4,5-dien-3-ol

C26H36O2Si — CID 11407180

IUPAC(3S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-4,5-dien-3-ol
SMILESCCCC(C)=C=C[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36O2Si/c1-6-13-22(2)18-19-23(27)20-21-28-29(26(3,4)5,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h7-12,14-17,19,23,27H,6,13,20-21H2,1-5H3/t18?,23-/m1/s1
InChIKeyOEZMDXPEQLXUKJ-WBPHRXDCSA-N
MW408.66 g/mol
LogP5.22
Rot. Bonds9

About (3S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-4,5-dien-3-ol

(3S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-4,5-dien-3-ol (PubChem CID 11407180) has the molecular formula C26H36O2Si and a molecular weight of 408.66 g/mol. Its IUPAC name is (3S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-4,5-dien-3-ol.

Molecular Properties

Compound Name(3S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-4,5-dien-3-ol
PubChem CID11407180
Molecular FormulaC26H36O2Si
Molecular Weight408.66 g/mol
Exact Mass408.25
IUPAC Name(3S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-4,5-dien-3-ol
SMILESCCCC(C)=C=C[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36O2Si/c1-6-13-22(2)18-19-23(27)20-21-28-29(26(3,4)5,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h7-12,14-17,19,23,27H,6,13,20-21H2,1-5H3/t18?,23-/m1/s1
InChIKeyOEZMDXPEQLXUKJ-WBPHRXDCSA-N
XLogP5.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-((tert-Butyldiphenylsilyl)oxy)-2,2-dimethylpropan-1-ol
CID 11313883
Diphenyl(4-hydroxybutyl)methylsilane
CID 4583561
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
(R)-4-(tert-Butyldiphenylsilyloxy)-3-methyl-1-butanol
CID 23727941
1-[Tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol
CID 102342231
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol
CID 138971112
(Z)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol
CID 5461382
1-Butanol, 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-
CID 10065108
3-(Tert-butyldiphenylsiloxy)propanol
CID 10245134
(S)-4-(tert-butyldiphenylsilyloxy)-2-methylbutan-1-ol
CID 10712362
(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-ol
CID 10915232
5-(tert-Butyldiphenylsilyloxy)pentan-1-ol
CID 10925936

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-4,5-dien-3-ol?
The IUPAC name of (3S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-4,5-dien-3-ol (CID 11407180) is (3S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-4,5-dien-3-ol.
What is the SMILES notation for (3S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-4,5-dien-3-ol?
The canonical SMILES for (3S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-4,5-dien-3-ol is CCCC(C)=C=C[C@@H](O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-4,5-dien-3-ol?
The InChIKey is OEZMDXPEQLXUKJ-WBPHRXDCSA-N. The full InChI is InChI=1S/C26H36O2Si/c1-6-13-22(2)18-19-23(27)20-21-28-29(26(3,4)5,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h7-12,14-17,19,23,27H,6,13,20-21H2,1-5H3/t18?,23-/m1/s1.
What are the key properties of (3S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-4,5-dien-3-ol?
(3S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-4,5-dien-3-ol has a molecular weight of 408.66 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methylnona-4,5-dien-3-ol is sourced from PubChem (CID 11407180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).