(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol

C26H40O2Si — CID 132558516

IUPAC(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
SMILESC[C@H](C[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](C)CO
InChIInChI=1S/C26H40O2Si/c1-21(17-22(2)19-27)18-23(3)20-28-29(26(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-16,21-23,27H,17-20H2,1-6H3/t21-,22+,23-/m0/s1
InChIKeyYVVXWHJRWFHPFO-ZRBLBEILSA-N
MW412.69 g/mol
LogP5.24
Rot. Bonds10

About (2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol

(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol (PubChem CID 132558516) has the molecular formula C26H40O2Si and a molecular weight of 412.69 g/mol. Its IUPAC name is (2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol.

Molecular Properties

Compound Name(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
PubChem CID132558516
Molecular FormulaC26H40O2Si
Molecular Weight412.69 g/mol
Exact Mass412.28
IUPAC Name(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
SMILESC[C@H](C[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](C)CO
InChIInChI=1S/C26H40O2Si/c1-21(17-22(2)19-27)18-23(3)20-28-29(26(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-16,21-23,27H,17-20H2,1-6H3/t21-,22+,23-/m0/s1
InChIKeyYVVXWHJRWFHPFO-ZRBLBEILSA-N
XLogP5.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.69
LogP ≤ 55.24
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

(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
tert-butyl-[(2R,4R,6R,8S,10S,12S,14S)-15-(methoxymethoxy)-2,4,6,8,10,12,14-heptamethylpentadecoxy]-diphenylsilane
CID 134846014
methyl (2S,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptanoate
CID 102512037
(2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol
CID 71514828
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
(4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-6-methylhept-1-en-4-ol
CID 132510490
(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol
CID 102323148

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol?
The IUPAC name of (2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol (CID 132558516) is (2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol.
What is the SMILES notation for (2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol?
The canonical SMILES for (2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol is C[C@H](C[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](C)CO.
What is the InChIKey of (2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol?
The InChIKey is YVVXWHJRWFHPFO-ZRBLBEILSA-N. The full InChI is InChI=1S/C26H40O2Si/c1-21(17-22(2)19-27)18-23(3)20-28-29(26(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-16,21-23,27H,17-20H2,1-6H3/t21-,22+,23-/m0/s1.
What are the key properties of (2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol?
(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol has a molecular weight of 412.69 g/mol, XLogP of 5.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol is sourced from PubChem (CID 132558516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).