[(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate

C20H40O5Si2 — CID 10971775

IUPAC[(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate
SMILESCC(=O)OC1[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O5Si2/c1-14(21)23-18-16(24-26(8,9)19(2,3)4)12-15(22)13-17(18)25-27(10,11)20(5,6)7/h16-18H,12-13H2,1-11H3/t16-,17-/m1/s1
InChIKeyAPDALRQDJALNEI-IAGOWNOFSA-N
MW416.71 g/mol
LogP5.06
Rot. Bonds5

About [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate

[(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate (PubChem CID 10971775) has the molecular formula C20H40O5Si2 and a molecular weight of 416.71 g/mol. Its IUPAC name is [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate.

Molecular Properties

Compound Name[(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate
PubChem CID10971775
Molecular FormulaC20H40O5Si2
Molecular Weight416.71 g/mol
Exact Mass416.24
IUPAC Name[(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate
SMILESCC(=O)OC1[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O5Si2/c1-14(21)23-18-16(24-26(8,9)19(2,3)4)12-15(22)13-17(18)25-27(10,11)20(5,6)7/h16-18H,12-13H2,1-11H3/t16-,17-/m1/s1
InChIKeyAPDALRQDJALNEI-IAGOWNOFSA-N
XLogP5.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.71
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one
CID 10003725
(1S,3S)-2,2-dimethyl-propionic acid 3-(tert-butyl-dimethyl-silanyloxy)-5-oxo-cyclohexyl ester
CID 23245525
(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-one
CID 10499676
(1R,4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]heptan-2-one
CID 14331785
methyl (3S,5R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyhexanoate
CID 102361535
[(1S,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-oxocyclohexyl] acetate
CID 134836939
(5R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 134842430
(4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-one
CID 139247737
(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-one
CID 11250682
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-one
CID 16098130
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclohexyl] acetate
CID 10946087

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate?
The IUPAC name of [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate (CID 10971775) is [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate.
What is the SMILES notation for [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate?
The canonical SMILES for [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate is CC(=O)OC1[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate?
The InChIKey is APDALRQDJALNEI-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H40O5Si2/c1-14(21)23-18-16(24-26(8,9)19(2,3)4)12-15(22)13-17(18)25-27(10,11)20(5,6)7/h16-18H,12-13H2,1-11H3/t16-,17-/m1/s1.
What are the key properties of [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate?
[(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate has a molecular weight of 416.71 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxocyclohexyl] acetate is sourced from PubChem (CID 10971775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).