3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one

C26H56O4Si3 — CID 69222324

IUPAC3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
SMILESCC(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)CC(=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O4Si3/c1-19(28-31(11,12)24(2,3)4)23-21(29-32(13,14)25(5,6)7)17-20(27)18-22(23)30-33(15,16)26(8,9)10/h19,21-23H,17-18H2,1-16H3
InChIKeyCKRIFFIEGHWDKA-UHFFFAOYSA-N
MW516.99 g/mol
LogP8.16
Rot. Bonds7

About 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one

3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one (PubChem CID 69222324) has the molecular formula C26H56O4Si3 and a molecular weight of 516.99 g/mol. Its IUPAC name is 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one.

Molecular Properties

Compound Name3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
PubChem CID69222324
Molecular FormulaC26H56O4Si3
Molecular Weight516.99 g/mol
Exact Mass516.35
IUPAC Name3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
SMILESCC(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)CC(=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O4Si3/c1-19(28-31(11,12)24(2,3)4)23-21(29-32(13,14)25(5,6)7)17-20(27)18-22(23)30-33(15,16)26(8,9)10/h19,21-23H,17-18H2,1-16H3
InChIKeyCKRIFFIEGHWDKA-UHFFFAOYSA-N
XLogP8.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.99
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one?
The IUPAC name of 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one (CID 69222324) is 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one.
What is the SMILES notation for 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one?
The canonical SMILES for 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one is CC(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)CC(=O)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one?
The InChIKey is CKRIFFIEGHWDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O4Si3/c1-19(28-31(11,12)24(2,3)4)23-21(29-32(13,14)25(5,6)7)17-20(27)18-22(23)30-33(15,16)26(8,9)10/h19,21-23H,17-18H2,1-16H3.
What are the key properties of 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one?
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one has a molecular weight of 516.99 g/mol, XLogP of 8.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one is sourced from PubChem (CID 69222324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).