(4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one

C24H50O4Si3 — CID 11576727

IUPAC(4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=CC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O4Si3/c1-22(2,3)29(10,11)26-19-17-16-18(25)20(27-30(12,13)23(4,5)6)21(19)28-31(14,15)24(7,8)9/h16-17,19-21H,1-15H3/t19-,20+,21+/m1/s1
InChIKeyZJIKXZXCBBEGNT-HKBOAZHASA-N
MW486.92 g/mol
LogP7.30
Rot. Bonds6

About (4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one

(4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one (PubChem CID 11576727) has the molecular formula C24H50O4Si3 and a molecular weight of 486.92 g/mol. Its IUPAC name is (4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
PubChem CID11576727
Molecular FormulaC24H50O4Si3
Molecular Weight486.92 g/mol
Exact Mass486.30
IUPAC Name(4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=CC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O4Si3/c1-22(2,3)29(10,11)26-19-17-16-18(25)20(27-30(12,13)23(4,5)6)21(19)28-31(14,15)24(7,8)9/h16-17,19-21H,1-15H3/t19-,20+,21+/m1/s1
InChIKeyZJIKXZXCBBEGNT-HKBOAZHASA-N
XLogP7.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.92
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one with MolForge

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Related Compounds

(4S,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyl-6-trimethylsilyloxycyclohex-2-en-1-one
CID 11973980
(4S,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxy-6-methylcyclohex-2-en-1-one
CID 135010345
(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-one
CID 138968444
(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 15364500
(4R)-2-(7-oxo-8-trimethylsilyloxyoct-2-enyl)-4-trimethylsilyloxycyclopent-2-en-1-one
CID 54095698
2-[(Z)-8-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one
CID 70573152
(4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one
CID 70596280
(4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 89612090
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one
CID 10947880
(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one
CID 11024337
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 11100395
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylcyclopent-2-en-1-one
CID 13758377

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one?
The IUPAC name of (4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one (CID 11576727) is (4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one.
What is the SMILES notation for (4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one?
The canonical SMILES for (4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one is CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=CC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one?
The InChIKey is ZJIKXZXCBBEGNT-HKBOAZHASA-N. The full InChI is InChI=1S/C24H50O4Si3/c1-22(2,3)29(10,11)26-19-17-16-18(25)20(27-30(12,13)23(4,5)6)21(19)28-31(14,15)24(7,8)9/h16-17,19-21H,1-15H3/t19-,20+,21+/m1/s1.
What are the key properties of (4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one?
(4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one has a molecular weight of 486.92 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one is sourced from PubChem (CID 11576727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).