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

C21H46O4Si3 — CID 11190060

IUPAC3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)CC(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C21H46O4Si3/c1-20(2,3)27(10,11)23-17-14-16(22)15-18(19(17)25-26(7,8)9)24-28(12,13)21(4,5)6/h17-19H,14-15H2,1-13H3
InChIKeyGAXPOBFIIBZPRB-UHFFFAOYSA-N
MW446.85 g/mol
LogP6.35
Rot. Bonds6

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

3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one (PubChem CID 11190060) has the molecular formula C21H46O4Si3 and a molecular weight of 446.85 g/mol. Its IUPAC name is 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one.

Molecular Properties

Compound Name3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one
PubChem CID11190060
Molecular FormulaC21H46O4Si3
Molecular Weight446.85 g/mol
Exact Mass446.27
IUPAC Name3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC1CC(=O)CC(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C21H46O4Si3/c1-20(2,3)27(10,11)23-17-14-16(22)15-18(19(17)25-26(7,8)9)24-28(12,13)21(4,5)6/h17-19H,14-15H2,1-13H3
InChIKeyGAXPOBFIIBZPRB-UHFFFAOYSA-N
XLogP6.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.85
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one
CID 10003725
Cyclohexanone, 3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-hydroxy-, (3R, 5R)
CID 11222586
2,3,4,5,6-Pentakis[(trimethylsilyl)oxy]cyclohexanone
CID 553793
trans-(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione
CID 11003244
(3S,5S)-3,5-Bis((tert-butyldimethylsilyl)oxy)cyclohexan-1-one
CID 11068324
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one
CID 15344855
(3S,5S)-3,5-bis(tert-butyldimethylsilyloxy)cyclohexanone
CID 23367341
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one
CID 57599550
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexan-1-one
CID 58673049
cis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione
CID 59130197
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexan-1-one
CID 59153473
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexan-1-one
CID 67814399

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one?
The IUPAC name of 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one (CID 11190060) is 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one.
What is the SMILES notation for 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one?
The canonical SMILES for 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one is CC(C)(C)[Si](C)(C)OC1CC(=O)CC(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one?
The InChIKey is GAXPOBFIIBZPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O4Si3/c1-20(2,3)27(10,11)23-17-14-16(22)15-18(19(17)25-26(7,8)9)24-28(12,13)21(4,5)6/h17-19H,14-15H2,1-13H3.
What are the key properties of 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one?
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one has a molecular weight of 446.85 g/mol, XLogP of 6.35, 6 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-trimethylsilyloxycyclohexan-1-one is sourced from PubChem (CID 11190060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).