8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one

C26H38O4Si — CID 69304890

IUPAC8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one
SMILESCC(C)(C)C(=O)C(O)CC(O)CC(O)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38O4Si/c1-25(2,3)24(30)22(28)17-19(27)18-23(29)31(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-23,27-29H,17-18H2,1-6H3
InChIKeyQRTPRAHKEGUWQV-UHFFFAOYSA-N
MW442.67 g/mol
LogP3.07
Rot. Bonds8

About 8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one

8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one (PubChem CID 69304890) has the molecular formula C26H38O4Si and a molecular weight of 442.67 g/mol. Its IUPAC name is 8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one.

Molecular Properties

Compound Name8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one
PubChem CID69304890
Molecular FormulaC26H38O4Si
Molecular Weight442.67 g/mol
Exact Mass442.25
IUPAC Name8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one
SMILESCC(C)(C)C(=O)C(O)CC(O)CC(O)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38O4Si/c1-25(2,3)24(30)22(28)17-19(27)18-23(29)31(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-23,27-29H,17-18H2,1-6H3
InChIKeyQRTPRAHKEGUWQV-UHFFFAOYSA-N
XLogP3.07
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.67
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(diphenyl)silyl]methanediol
CID 166018796
[3-[tert-butyl(diphenyl)silyl]-3-hydroxypropyl] trifluoromethanesulfonate
CID 174145918
(1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol
CID 135746136
[tert-butyl(diphenyl)silyl]-(2-methylphenyl)methanol
CID 164686352
(E,4S)-4-hydroxy-2,2,8-trimethyl-8-phenylmethoxynon-6-en-3-one
CID 155691972
(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-4-methyl-1-phenylhex-4-en-1-ol
CID 134904760
(E,1R,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylhex-4-en-1-ol
CID 11058768
bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate
CID 139812746
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone
CID 11472623
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one?
The IUPAC name of 8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one (CID 69304890) is 8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one.
What is the SMILES notation for 8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one?
The canonical SMILES for 8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one is CC(C)(C)C(=O)C(O)CC(O)CC(O)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one?
The InChIKey is QRTPRAHKEGUWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O4Si/c1-25(2,3)24(30)22(28)17-19(27)18-23(29)31(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-23,27-29H,17-18H2,1-6H3.
What are the key properties of 8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one?
8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one has a molecular weight of 442.67 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(diphenyl)silyl]-4,6,8-trihydroxy-2,2-dimethyloctan-3-one is sourced from PubChem (CID 69304890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).