8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol

C26H40O2Si — CID 73077971

IUPAC8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
SMILESCC(CCO)CCCC(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H40O2Si/c1-22(19-20-27)13-12-14-23(2)21-28-29(26(3,4)5,24-15-8-6-9-16-24)25-17-10-7-11-18-25/h6-11,15-18,22-23,27H,12-14,19-21H2,1-5H3
InChIKeyBLBODZDPXOXREH-UHFFFAOYSA-N
MW412.69 g/mol
LogP5.39
Rot. Bonds11

About 8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol

8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol (PubChem CID 73077971) has the molecular formula C26H40O2Si and a molecular weight of 412.69 g/mol. Its IUPAC name is 8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol.

Molecular Properties

Compound Name8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
PubChem CID73077971
Molecular FormulaC26H40O2Si
Molecular Weight412.69 g/mol
Exact Mass412.28
IUPAC Name8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
SMILESCC(CCO)CCCC(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H40O2Si/c1-22(19-20-27)13-12-14-23(2)21-28-29(26(3,4)5,24-15-8-6-9-16-24)25-17-10-7-11-18-25/h6-11,15-18,22-23,27H,12-14,19-21H2,1-5H3
InChIKeyBLBODZDPXOXREH-UHFFFAOYSA-N
XLogP5.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.69
LogP ≤ 55.39
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

(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane
CID 134925581
(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
[(2S,3S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-2-yl] acetate
CID 10789919
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-6-methylheptan-1-ol
CID 71504117
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol
CID 11742663

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol?
The IUPAC name of 8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol (CID 73077971) is 8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol.
What is the SMILES notation for 8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol?
The canonical SMILES for 8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol is CC(CCO)CCCC(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol?
The InChIKey is BLBODZDPXOXREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2Si/c1-22(19-20-27)13-12-14-23(2)21-28-29(26(3,4)5,24-15-8-6-9-16-24)25-17-10-7-11-18-25/h6-11,15-18,22-23,27H,12-14,19-21H2,1-5H3.
What are the key properties of 8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol?
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol has a molecular weight of 412.69 g/mol, XLogP of 5.39, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol is sourced from PubChem (CID 73077971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).